Glycoside
...
GD131897

Name:
Thalictoside I

Formula:
C43H70O14

Smiles:
COC1OC(C=C(C)C)C(O)C1C1CCC2(C)C3CCC4C(C)(CO)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.COC1OC(C=C(C)C)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 8 FractionCSP3: 0.95
AlogP: 1.75 Num_rotatable_bonds: 9
MolWt: 811.02 Num_heavy_atoms: 57
TPSA: 217.22 NumAromaticRings: 0

Unique Aglycone
AD46520
Formula: C22H36O2

Smiles:
CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13
HBA: 2 RingCount: 5
HBD: 2 FractionCSP3: 1.0
AlogP: 4.53 Num_rotatable_bonds: 1
MolWt: 332.53 Num_heavy_atoms: 24
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD07437

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.COC1OC(C=C(C)C)C(O)C1O