Glycoside
GD023870
Name:
2-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-methyloxane-3,4,5-triolFormula:
C27H36O11Smiles:
COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| 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 |
