Glycoside
GD011604
Name:
4-hydroxy-18-methoxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-oxatricyclo[13.2.2.1³,â·]icosa-1(17),3(20),4,6,15,18-hexaen-10-oneFormula:
C26H32O10Smiles:
COc1cc2ccc1Oc1cc(ccc1O)CC(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)CCCC2Aglycone:
COc1cc2ccc1Oc1cc(ccc1O)CC(O)C(=O)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 504.53 | Num_heavy_atoms: | 36 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD08852
Formula: C20H22O5
Smiles:
COc1cc2ccc1Oc1cc(ccc1O)CC(O)C(=O)CCCC2| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
