Glycoside
...
GD000498

Name:
None

Formula:
C57H79O13N

Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6NC(=O)C=Cc6ccc(OCc7ccccc7)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.NC(=O)C=Cc1ccc(OCc2ccccc2)cc1

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 9
HBD: 7 FractionCSP3: 0.68
AlogP: 6.94 Num_rotatable_bonds: 12
MolWt: 986.25 Num_heavy_atoms: 71
TPSA: 213.7 NumAromaticRings: 2

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD00555
Formula: C16H15O2N

Smiles:
NC(=O)C=Cc1ccc(OCc2ccccc2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.06
AlogP: 2.76 Num_rotatable_bonds: 5
MolWt: 253.3 Num_heavy_atoms: 19
TPSA: 52.32 NumAromaticRings: 2

Sugarmoiety
SD00063

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O