Glycoside

GD004298
Name:
GINSENOSIDE RCFormula:
C53H90O22Smiles:
CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]3CC[C@]12CAglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 8 |
HBD: | 14 | FractionCSP3: | 0.96 |
AlogP: | -1.56 | Num_rotatable_bonds: | 16 |
MolWt: | 1079.28 | Num_heavy_atoms: | 75 |
TPSA: | 357.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD00161
Formula: C30H52O3
Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3CCC12CHBA: | 3 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.93 |
AlogP: | 6.5 | Num_rotatable_bonds: | 4 |
MolWt: | 460.74 | Num_heavy_atoms: | 33 |
TPSA: | 60.69 | NumAromaticRings: | 0 |