Glycoside
...
GD156959

Name:
Polyacetyleneginsenoside Ro

Formula:
C65H100O21

Smiles:
C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:
C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC=O.CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.85
AlogP: 2.73 Num_rotatable_bonds: 19
MolWt: 1217.49 Num_heavy_atoms: 86
TPSA: 341.51 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD23650
Formula: C18H26O4

Smiles:
C=CC(O)C#CC#CCC(O)C(CCCCCCC)OC=O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.61
AlogP: 2.19 Num_rotatable_bonds: 11
MolWt: 306.4 Num_heavy_atoms: 22
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00869

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O