Glycoside
GD131133
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]peroxy}-1,3-dihydroxy-7-methoxy-9H-xanthen-9-oneFormula:
C26H30O16Smiles:
COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1OOC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1OOSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.51 | Num_heavy_atoms: | 42 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD53133
Formula: C14H10O7
Smiles:
COc1cc2c(=O)c3c(O)cc(O)cc3oc2cc1OO| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 290.23 | Num_heavy_atoms: | 21 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
