Glycoside
GD152812
Name:
1,5-dihydroxy-3-methoxy-8-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C25H28O15Smiles:
COc1cc(O)c2c(=O)c3c(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)ccc(O)c3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.48 | Num_heavy_atoms: | 40 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD01878
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1| 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 |
