Glycoside
...
GD000113

Name:
GINSENOSIDE R2

Formula:
C43H72O15

Smiles:
CC(=O)OC[C@@H]1O[C@H](O[C@@H]2C[C@]3(C)[C@H](C[C@H](O)[C@@H]4[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]43C)[C@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1.COC(C)=O

Sugarmoiety:
OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.98
AlogP: 1.54 Num_rotatable_bonds: 8
MolWt: 829.03 Num_heavy_atoms: 58
TPSA: 234.29 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00139
Formula: C30H52O5

Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 4.68 Num_rotatable_bonds: 2
MolWt: 492.74 Num_heavy_atoms: 35
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00060

OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1O