Glycoside
GD155577
Name:
1,5,8-trihydroxy-4-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-9-oneFormula:
C20H20O12Smiles:
COc1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c2c(=O)c3c(O)ccc(O)c3oc12Aglycone:
COc1c(O)cc(O)c2c(=O)c3c(O)ccc(O)c3oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.37 | Num_heavy_atoms: | 32 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD61702
Formula: C14H10O7
Smiles:
COc1c(O)cc(O)c2c(=O)c3c(O)ccc(O)c3oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.23 | Num_heavy_atoms: | 21 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
