Glycoside
GD144612
Name:
9-(3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-3-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-hydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-oneFormula:
C27H34O15Smiles:
CC(C)(OC1OC(COC2(O)COCC2(O)CO)C(O)C(O)C1O)C(O)COc1c2occc2cc2ccc(=O)oc12Aglycone:
CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12Sugarmoiety:
OCC1(O)COCC1(O)OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 231.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD45157
Formula: C16H16O6
Smiles:
CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.04 | NumAromaticRings: | 3 |
