Glycoside
GD116503
Name:
Ginsenoside Rs6Formula:
C38H62O9Smiles:
CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(C(C)=CCC=C(C)C)CCC43C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1OAglycone:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 145.91 | 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 |
AD00236
Formula: C30H50O3
Smiles:
CC(C)=CCC=C(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
