Glycoside
...
GD012828

Name:
None

Formula:
C96H182O25N2P2

Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H](OC[C@@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2O)O[C@H](CO)[C@@H]1OP(=O)(O)O

Aglycone:
CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(N)=O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.O=P(O)(O)O.O=P(O)(O)O

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 2
HBD: 10 FractionCSP3: 0.94
AlogP: 21.38 Num_rotatable_bonds: 86
MolWt: 1826.45 Num_heavy_atoms: 125
TPSA: 405.53 NumAromaticRings: 0

Unique Aglycone
AD00019
Formula: H3O4P

Smiles:
O=P(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 0.0
AlogP: -0.93 Num_rotatable_bonds: 0
MolWt: 97.99 Num_heavy_atoms: 5
TPSA: 77.76 NumAromaticRings: 0
AD00507
Formula: C14H28O3

Smiles:
CCCCCCCCCCCC(O)CC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 244.37 Num_heavy_atoms: 17
TPSA: 57.53 NumAromaticRings: 0
AD00508
Formula: C14H29O2N

Smiles:
CCCCCCCCCCCC(O)CC(N)=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.93
AlogP: 3.14 Num_rotatable_bonds: 12
MolWt: 243.39 Num_heavy_atoms: 17
TPSA: 63.32 NumAromaticRings: 0
AD00509
Formula: C28H54O4

Smiles:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.93
AlogP: 8.99 Num_rotatable_bonds: 25
MolWt: 454.74 Num_heavy_atoms: 32
TPSA: 63.6 NumAromaticRings: 0
AD01232
Formula: C28H55O3N

Smiles:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 8.4 Num_rotatable_bonds: 25
MolWt: 453.75 Num_heavy_atoms: 32
TPSA: 69.39 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O