Glycoside
GD034778
Name:
2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-methyloxane-3,4,5-triolFormula:
C27H36O11Smiles:
COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@H](CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](CO)C2Aglycone:
COc1cc2c(cc1O)C(c1cc(OC)c(O)c(OC)c1)C(CO)C(CO)C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.57 | Num_heavy_atoms: | 38 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD22071
Formula: C21H26O7
Smiles:
COc1cc2c(cc1O)C(c1cc(OC)c(O)c(OC)c1)C(CO)C(CO)C2| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
