Glycoside
GD134900
Name:
Stachyssaponin BFormula:
C47H76O20Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(OC6OC(CO)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)CC2(C(=O)O)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)C(O)CC2(C(=O)O)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 13 | FractionCSP3: | 0.94 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 961.11 | Num_heavy_atoms: | 67 |
| TPSA: | 335.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54570
Formula: C30H48O6
Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)C(O)CC2(C(=O)O)CC1O| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
