Glycoside
...
GD001919

Name:
None

Formula:
C93H175O21N2P

Smiles:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OC2CC(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(O)O2)OC(CO)C1OP(=O)(O)O

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

Sugarmoiety:
OCC1OC(OC2CC(O)C(O)C(O)O2)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 8 FractionCSP3: 0.94
AlogP: 21.47 Num_rotatable_bonds: 81
MolWt: 1688.39 Num_heavy_atoms: 117
TPSA: 338.77 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
AD00506
Formula: C26H51O3N

Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 7.62 Num_rotatable_bonds: 23
MolWt: 425.7 Num_heavy_atoms: 30
TPSA: 69.39 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

Sugarmoiety
SD00469

OCC1OC(OC2CC(O)C(O)C(O)O2)C(O)C(O)C1O