Glycoside
GD139650
Name:
1,2,6-trimethoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C22H24O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.42 | Num_heavy_atoms: | 33 |
| TPSA: | 157.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD51257
Formula: C16H14O6
Smiles:
COc1cc(O)c2c(=O)c3c(OC)c(OC)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
