Glycoside
GD146120
Name:
5-({5-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-[({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-6-(1,2-dihydroxyethyl)-2,4-dihydroxyoxane-2-carboxylic acidFormula:
C56H95O47NSmiles:
NC1C(OC2C(OC3C(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4O)OC(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1OAglycone:
[empty]Sugarmoiety:
NC1C(OC2C(OC3C(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4O)OC(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 48 | RingCount: | 9 |
| HBD: | 31 | FractionCSP3: | 0.98 |
| AlogP: | -20.82 | Num_rotatable_bonds: | 27 |
| MolWt: | 1534.34 | Num_heavy_atoms: | 104 |
| TPSA: | 786.67 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD09297
NC1C(OC2C(OC3C(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(O)C4O)OC(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)C(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)OC(CO)C(O)C1O