Glycoside
GD127015
Name:
8-acetyl-6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-methyl-4H-benzo[g]chromen-4-oneFormula:
C27H30O14Smiles:
CC(=O)c1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1Aglycone:
CC(=O)c1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD51414
Formula: C16H12O5
Smiles:
CC(=O)c1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 3 |
