Glycoside
...
GD130252

Name:
Basellasaponin A

Formula:
C47H70O21

Smiles:
CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(CO)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 10 FractionCSP3: 0.87
AlogP: 0.64 Num_rotatable_bonds: 11
MolWt: 971.06 Num_heavy_atoms: 68
TPSA: 335.19 NumAromaticRings: 0

Unique Aglycone
AD52784
Formula: C41H60O16

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C7OC(O)(C(=O)O)C(OCC(=O)O)OC7C6O)C(C)(CO)C5CCC43C)C2C1
HBA: 16 RingCount: 7
HBD: 7 FractionCSP3: 0.85
AlogP: 3.39 Num_rotatable_bonds: 9
MolWt: 808.92 Num_heavy_atoms: 57
TPSA: 256.04 NumAromaticRings: 0

Sugarmoiety
SD00003

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