Glycoside
GD156310
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]peroxy}-1-hydroxy-3,7-dimethoxy-9H-xanthen-9-oneFormula:
C27H32O16Smiles:
COc1cc(O)c2c(=O)c3cc(OC)c(OOC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3oc2c1Aglycone:
COc1cc(O)c2c(=O)c3cc(OC)c(OO)cc3oc2c1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.54 | Num_heavy_atoms: | 43 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD61910
Formula: C15H12O7
Smiles:
COc1cc(O)c2c(=O)c3cc(OC)c(OO)cc3oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
