Glycoside
GD148022
Name:
Anguivioside XviFormula:
C51H80O23Smiles:
CC1CC(C(=O)C(C)C2C(=O)CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1CC(C(=O)C(C)C2C(=O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.92 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 13 |
| MolWt: | 1061.18 | Num_heavy_atoms: | 74 |
| TPSA: | 359.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD59251
Formula: C27H40O5
Smiles:
CC1CC(C(=O)C(C)C2C(=O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC1O| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
