Glycoside
GD139803
Name:
2-[(6,8-dihydroxy-2,7-dimethoxy-9-oxo-9H-xanthen-3-yl)oxy]-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl acetateFormula:
C29H34O16Smiles:
COc1cc2c(=O)c3c(O)c(OC)c(O)cc3oc2cc1OC1OC(C)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC(C)=OAglycone:
COc1cc2c(=O)c3c(O)c(OC)c(O)cc3oc2cc1OSugarmoiety:
CC(=O)OC1C(O)OC(C)C(O)C1OC1OC(C)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD51494
Formula: C15H12O7
Smiles:
COc1cc2c(=O)c3c(O)c(OC)c(O)cc3oc2cc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
