Glycoside
GD130205
Name:
2-[(2-{4-[(1,3-dihydroxypropan-2-yl)oxy]-3,5-dimethoxyphenyl}-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H42O14Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC(CO)COAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OC(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 15 |
| MolWt: | 626.65 | Num_heavy_atoms: | 44 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD52759
Formula: C24H32O9
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OC(CO)CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 464.51 | Num_heavy_atoms: | 33 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
