Glycoside
GD147817
Name:
4-(acetyloxy)-6-[(2-{[4-(acetyloxy)-2-carboxy-5,6-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3-({3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methyloxan-2-yl}oxy)-5-hydroxyoxane-2-carboxylic acidFormula:
C34H50O29Smiles:
CC(=O)OC1C(O)C(O)OC(C(=O)O)C1OC1OC(C)C(O)C(O)C1OC1OC(C(=O)O)C(OC2OC(C)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)C(OC(C)=O)C1OAglycone:
[empty]Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(C(=O)O)C1OC1OC(C)C(O)C(O)C1OC1OC(C(=O)O)C(OC2OC(C)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.85 |
| AlogP: | -8.45 | Num_rotatable_bonds: | 13 |
| MolWt: | 922.75 | Num_heavy_atoms: | 63 |
| TPSA: | 449.87 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD09490
CC(=O)OC1C(O)C(O)OC(C(=O)O)C1OC1OC(C)C(O)C(O)C1OC1OC(C(=O)O)C(OC2OC(C)C(O)C(O)C2OC2OC(C(=O)O)C(O)C(O)C2O)C(OC(C)=O)C1O