Glycoside
...
GD116541

Name:
Trikamsteroside A

Formula:
C39H62O14

Smiles:
CC1OC(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(CO)CO6)C(C)C54O)C3)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 8 FractionCSP3: 0.95
AlogP: 0.48 Num_rotatable_bonds: 6
MolWt: 754.91 Num_heavy_atoms: 53
TPSA: 217.22 NumAromaticRings: 0

Unique Aglycone
AD45088
Formula: C27H42O5

Smiles:
CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 0.93
AlogP: 3.8 Num_rotatable_bonds: 1
MolWt: 446.63 Num_heavy_atoms: 32
TPSA: 79.15 NumAromaticRings: 0

Sugarmoiety
SD00163

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