Glycoside
GD140310
Name:
Abutiloside LFormula:
C51H82O23Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CC(O)C5C4CCC4(C)C5CC5OC6(CCC(C)(COC7OC(CO)C(O)C(O)C7O)O6)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1OAglycone:
CC1C2C(CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2Sugarmoiety:
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: | 10 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 11 |
| MolWt: | 1063.19 | Num_heavy_atoms: | 74 |
| TPSA: | 355.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD47935
Formula: C27H42O5
Smiles:
CC1C2C(CC3C4C(O)C=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(C)(CO)O2| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 446.63 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
