Glycoside
GD119785
Name:
2-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-methoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C30H38O15Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)cc1OC)CC2=OAglycone:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1OC)CC2=OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 212.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD47548
Formula: C18H18O6
Smiles:
COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1OC)CC2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
