Glycoside
GD124492
Name:
2-(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-oneFormula:
C25H28O15Smiles:
COc1cc2c(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)c(O)cc3oc2cc1OAglycone:
COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 249.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD50292
Formula: C14H10O6
Smiles:
COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.23 | Num_heavy_atoms: | 20 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
