Glycoside
GD144773
Name:
6-({2-[4-(cyclopentyloxy)phenyl]-5-hydroxy-6-(hydroxymethoxy)-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C27H28O13Smiles:
O=C(O)C1OC(Oc2cc3oc(-c4ccc(OC5CCCC5)cc4)cc(=O)c3c(O)c2OCO)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(OC3CCCC3)cc2)oc2cc(O)c(OCO)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.51 | Num_heavy_atoms: | 40 |
| TPSA: | 205.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD58151
Formula: C21H20O7
Smiles:
O=c1cc(-c2ccc(OC3CCCC3)cc2)oc2cc(O)c(OCO)c(O)c12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
