Glycoside
GD035706
Name:
2-({1-ethenyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C26H36O5Smiles:
C=C[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)ccc4[C@H]3CC[C@@]12CAglycone:
C=CC1CCC2C3CCc4cc(O)ccc4C3CCC12CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 428.57 | Num_heavy_atoms: | 31 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD16931
Formula: C20H26O
Smiles:
C=CC1CCC2C3CCc4cc(O)ccc4C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 282.43 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
