Glycoside
GD128037
Name:
3-[(3,4-dihydroxy-5-methyloxolan-2-yl)methyl]-5,7-dihydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C27H30O14Smiles:
CC1OC(Cc2c(-c3ccc(OC4OC(CO)C(O)C(O)C4O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C1OAglycone:
Cc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=OSugarmoiety:
CC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 239.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD50678
Formula: C16H12O6
Smiles:
Cc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
