Glycoside
GD022618
Name:
STEREONSTEROID HFormula:
C29H44O6Smiles:
C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12CAglycone:
C=CC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 488.67 | Num_heavy_atoms: | 35 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00756
Formula: C21H32O
Smiles:
C=CC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.49 | Num_heavy_atoms: | 22 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
