Glycoside
GD154324
Name:
Petersaponin IiiFormula:
C62H92O26Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21COC1OC(C)C(O)C(O)C1OAglycone:
CC(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21COSugarmoiety:
CC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.82 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 14 |
| MolWt: | 1253.39 | Num_heavy_atoms: | 88 |
| TPSA: | 406.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD58871
Formula: C39H56O7
Smiles:
CC(=O)OC1C(OC(=O)c2ccccc2)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C21CO| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 636.87 | Num_heavy_atoms: | 46 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
