Glycoside
GD142968
Name:
8-hydroxy-3,4,5-trimethoxy-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-9H-xanthen-9-oneFormula:
C27H32O16Smiles:
COc1cc(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c2c(=O)c3c(O)ccc(OC)c3oc2c1OCAglycone:
COc1cc(O)c2c(=O)c3c(O)ccc(OC)c3oc2c1OCSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD45497
Formula: C16H14O7
Smiles:
COc1cc(O)c2c(=O)c3c(O)ccc(OC)c3oc2c1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
