Glycoside
GD014320
Name:
2-({1-ethenyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-3,5-dihydroxyoxan-4-yl acetateFormula:
C28H42O6Smiles:
C=C[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5OC[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)COC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 474.64 | Num_heavy_atoms: | 34 |
| 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 |
