Glycoside
GD145103
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-2-{4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}-8-methyl-4H-chromen-4-oneFormula:
C33H40O20Smiles:
Cc1c(OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC4OC(C)C(O)C(O)C4O)c3)oc12Aglycone:
Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 756.66 | Num_heavy_atoms: | 53 |
| TPSA: | 328.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD45581
Formula: C16H12O7
Smiles:
Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12| 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 |
