Glycoside
GD147081
Name:
2-{4-[3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triolFormula:
C26H34O11Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OC1OCC(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 156.53 | 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 |
