Glycoside
...
GD120706

Name:
Spongipregnoloside C

Formula:
C45H70O20

Smiles:
CC(=O)C1=CCC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.89
AlogP: -2.21 Num_rotatable_bonds: 11
MolWt: 931.04 Num_heavy_atoms: 65
TPSA: 313.44 NumAromaticRings: 0

Unique Aglycone
AD06271
Formula: C21H30O2

Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.76
AlogP: 4.44 Num_rotatable_bonds: 1
MolWt: 314.47 Num_heavy_atoms: 23
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD05664

CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O