Glycoside
GD130044
Name:
10-hydroxy-3-methyl-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-benzo[g]isochromen-1-oneFormula:
C26H30O14Smiles:
Cc1cc2cc3cccc(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c3c(O)c2c(=O)o1Aglycone:
Cc1cc2cc3cccc(O)c3c(O)c2c(=O)o1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD52688
Formula: C14H10O4
Smiles:
Cc1cc2cc3cccc(O)c3c(O)c2c(=O)o1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 242.23 | Num_heavy_atoms: | 18 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
