Glycoside
GD149679
Name:
6-[(2-{[6-({4,5-dihydroxy-6-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acidFormula:
C27H44O23Smiles:
COC1C(C(=O)O)OC(OC2C(OC3COC(OC4COC(OC5COC(O)C(O)C5O)C(O)C4O)C(O)C3O)OCC(O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
COC1C(C(=O)O)OC(OC2C(OC3COC(OC4COC(OC5COC(O)C(O)C5O)C(O)C4O)C(O)C3O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.96 |
| AlogP: | -8.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 736.63 | Num_heavy_atoms: | 50 |
| TPSA: | 352.13 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD09701
COC1C(C(=O)O)OC(OC2C(OC3COC(OC4COC(OC5COC(O)C(O)C5O)C(O)C4O)C(O)C3O)OCC(O)C2O)C(O)C1O