Glycoside
GD136911
Name:
2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O12Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2COC2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 552.57 | Num_heavy_atoms: | 39 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD16007
Formula: C21H26O7
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
