Glycoside
GD124477
Name:
3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-oneFormula:
C34H42O20Smiles:
Cc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
Cc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1OSugarmoiety:
CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 770.69 | Num_heavy_atoms: | 54 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD50285
Formula: C16H12O7
Smiles:
Cc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
