Glycoside
GD117609
Name:
2-(2-hydroxypropan-2-yl)-9-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2H,3H,7H-furo[3,2-g]chromen-7-oneFormula:
C26H34O14Smiles:
CC1OC(OCC2OC(Oc3c4c(cc5ccc(=O)oc35)CC(C(C)(C)O)O4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 217.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00868
Formula: C14H14O5
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3c(O)c2O1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 262.26 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
