Glycoside
GD127182
Name:
5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-3-yl)oxy]-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl acetateFormula:
C35H44O21Smiles:
COc1cc2c(=O)c3c(O)c(OC)c(OC4OC(CO)C(O)C(O)C4O)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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 800.72 | Num_heavy_atoms: | 56 |
| TPSA: | 312.42 | 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 |
