Glycoside
GD132629
Name:
2-{2-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]propan-2-yl}-2H,3H,7H-furo[3,2-g]chromen-7-oneFormula:
C25H32O13Smiles:
CC(C)(OC1OC(CO)C(OC2OCC(O)(CO)C2O)C(O)C1O)C1Cc2cc3ccc(=O)oc3cc2O1Aglycone:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OC1OCC(O)(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 197.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD03997
Formula: C14H14O4
Smiles:
CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 1 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
