Glycoside
GD144368
Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]peroxy}-1,6-dihydroxy-2,7-dimethoxy-9H-xanthen-9-oneFormula:
C27H32O17Smiles:
COc1cc2c(=O)c3c(O)c(OC)c(OOC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3oc2cc1OAglycone:
COc1cc2c(=O)c3c(O)c(OC)c(OO)cc3oc2cc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 628.54 | Num_heavy_atoms: | 44 |
| TPSA: | 256.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD58022
Formula: C15H12O8
Smiles:
COc1cc2c(=O)c3c(O)c(OC)c(OO)cc3oc2cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
