Glycoside
GD004192
Name:
STEREONSTEROID DFormula:
C31H48O8Smiles:
C=C[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]5O)CC[C@@]4(COC(C)=O)[C@H]3CC[C@@]12CAglycone:
C=CC1CCC2C3CCC4CC(O)CCC4(COC(C)=O)C3CCC12CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 548.72 | Num_heavy_atoms: | 39 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD03699
Formula: C23H36O3
Smiles:
C=CC1CCC2C3CCC4CC(O)CCC4(COC(C)=O)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.54 | Num_heavy_atoms: | 26 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
