Glycoside
GD152610
Name:
2-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O15Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1OAglycone:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD04775
Formula: C16H14O6
Smiles:
COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
