Glycoside
GD126521
Name:
5-({5-[(5-{[3,4-bis({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy})-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-bis({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy})oxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)oxane-2,3,4-triolFormula:
C45H74O37Smiles:
OCC1OC(OC2C(OC3OCC(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C4O)C3OC3OC(CO)C(O)C3O)COC(OC3COC(OC4COC(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
OCC1OC(OC2C(OC3OCC(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C4O)C3OC3OC(CO)C(O)C3O)COC(OC3COC(OC4COC(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 37 | RingCount: | 9 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -14.88 | Num_rotatable_bonds: | 20 |
| MolWt: | 1207.05 | Num_heavy_atoms: | 82 |
| TPSA: | 561.51 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06640
OCC1OC(OC2C(OC3OCC(OC4OCC(O)C(O)C4O)C(OC4OC(CO)C(O)C4O)C3OC3OC(CO)C(O)C3O)COC(OC3COC(OC4COC(O)C(O)C4O)C(O)C3O)C2OC2OC(CO)C(O)C2O)C(O)C1O