Glycoside
GD129056
Name:
1,6,7-trihydroxy-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-9H-xanthen-9-oneFormula:
C19H18O11Smiles:
O=c1c2cc(O)c(O)cc2oc2cc(OCC3OC(O)C(O)C(O)C3O)cc(O)c12Aglycone:
COc1cc(O)c2c(=O)c3cc(O)c(O)cc3oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 422.34 | Num_heavy_atoms: | 30 |
| TPSA: | 190.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD18306
Formula: C14H10O6
Smiles:
COc1cc(O)c2c(=O)c3cc(O)c(O)cc3oc2c1| 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 |
