Glycoside
...
GD024185

Name:
None

Formula:
C48H92O13NP

Smiles:
CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)O)C1NC(=O)C[C@H](O)CCCCCCCCCCC

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

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

Other Identifiers

Properties
HBA: 14 RingCount: 1
HBD: 6 FractionCSP3: 0.94
AlogP: 10.17 Num_rotatable_bonds: 42
MolWt: 922.23 Num_heavy_atoms: 63
TPSA: 218.38 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
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
SD00003

OCC1OC(O)C(O)C(O)C1O