Glycoside
GD146741
Name:
6-(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4-dihydroxy-5-(3-hydroxypropoxy)oxane-2-carbonyloxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C30H32O19Smiles:
O=C(O)C1OC(OC(=O)C2OC(Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)C(OCCCO)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.OCCCOSugarmoiety:
O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.43 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 696.57 | Num_heavy_atoms: | 49 |
| TPSA: | 312.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD03058
Formula: C3H8O2
Smiles:
OCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
