Glycoside
GD127737
Name:
2-hydroxy-3-methoxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C20H20O10Smiles:
COc1cc2oc3ccccc3c(=O)c2c(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
COc1cc2oc3ccccc3c(=O)c2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.37 | Num_heavy_atoms: | 30 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD51739
Formula: C14H10O5
Smiles:
COc1cc2oc3ccccc3c(=O)c2c(O)c1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.23 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
