Glycoside
GD146380
Name:
5-(acetyloxy)-3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-({6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4,5-dihydroxy-2-(methoxycarbonyl)oxan-3-yl}oxy)-4-hydroxyoxane-2-carboxylic acidFormula:
C27H38O26Smiles:
COC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1OC(C)=OAglycone:
[empty]Sugarmoiety:
COC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.81 |
| AlogP: | -8.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 778.58 | Num_heavy_atoms: | 53 |
| TPSA: | 411.18 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD09322
COC(=O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1OC1OC(C(=O)O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1OC(C)=O