Glycoside
GD032096
Name:
STEREONSTEROID EFormula:
C29H44O7Smiles:
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(C=O)[C@H]3CC[C@@]12CAglycone:
C=CC1CCC2C3CCC4CC(O)CCC4(C=O)C3CCC12CSugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.66 | Num_heavy_atoms: | 36 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD20612
Formula: C21H32O2
Smiles:
C=CC1CCC2C3CCC4CC(O)CCC4(C=O)C3CCC12C| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.49 | Num_heavy_atoms: | 23 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
