Glycoside
GD137125
Name:
3-(acetyloxy)-6-[(6-{[4-(acetyloxy)-2-carboxy-5,6-dihydroxyoxan-3-yl]oxy}-2-carboxy-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C22H30O21Smiles:
CC(=O)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(O)C(O)C3OC(C)=O)C(O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC(=O)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(O)C(O)C3OC(C)=O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.77 |
| AlogP: | -6.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.46 | Num_heavy_atoms: | 43 |
| TPSA: | 332.03 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08136
CC(=O)OC1C(C(=O)O)OC(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(O)C(O)C3OC(C)=O)C(O)C2O)C(O)C1O