Glycoside
GD138878
Name:
1,2,3,7-tetramethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-9H-xanthen-9-oneFormula:
C23H26O13Smiles:
COc1cc2c(=O)c3c(OC)c(OC)c(OC)cc3oc2cc1OOC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c3c(OC)c(OC)c(OC)cc3oc2cc1OOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 510.45 | Num_heavy_atoms: | 36 |
| TPSA: | 175.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD56033
Formula: C17H16O8
Smiles:
COc1cc2c(=O)c3c(OC)c(OC)c(OC)cc3oc2cc1OO| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.31 | Num_heavy_atoms: | 25 |
| TPSA: | 96.59 | NumAromaticRings: | 3 |
