Glycoside
...
GD132051

Name:
Solasodoside D

Formula:
C39H62O16

Smiles:
CC(=O)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C

Aglycone:
CC(=O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 9 FractionCSP3: 0.92
AlogP: -0.99 Num_rotatable_bonds: 8
MolWt: 786.91 Num_heavy_atoms: 55
TPSA: 254.52 NumAromaticRings: 0

Unique Aglycone
AD50848
Formula: C21H32O3

Smiles:
CC(=O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.86
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 332.48 Num_heavy_atoms: 24
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00209

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O