Glycoside
GD144159
Name:
Diosbulbiside CFormula:
C45H70O17Smiles:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(OC6OC(C)C(O)C(O)C6O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.87 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 883.04 | Num_heavy_atoms: | 62 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD19730
Formula: C27H40O4
Smiles:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 4.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.61 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
