Glycoside
GD009695
Name:
1,3,6-trihydroxy-7-methoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C20H20O12Smiles:
COc1cc2c(=O)c3c(O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)cc3oc2cc1OAglycone:
COc1cc2c(=O)c3c(O)c(O)c(O)cc3oc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.37 | Num_heavy_atoms: | 32 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD07579
Formula: C14H10O7
Smiles:
COc1cc2c(=O)c3c(O)c(O)c(O)cc3oc2cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.23 | Num_heavy_atoms: | 21 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
