Glycoside
GD127071
Name:
6-(2-{[2-carboxy-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy}-1,3-dihydroxypropyl)-2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxyoxane-2-carboxylic acidFormula:
C34H56O27N2Smiles:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)COAglycone:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 4 |
| HBD: | 18 | FractionCSP3: | 0.88 |
| AlogP: | -9.37 | Num_rotatable_bonds: | 18 |
| MolWt: | 924.81 | Num_heavy_atoms: | 63 |
| TPSA: | 487.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD44904
Formula: C22H36O17N2
Smiles:
CC(O)=NC1C(O)CC(OC(CO)C(O)C2OC(O)(C(=O)O)CC(O)C2N=C(C)O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 19 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.82 |
| AlogP: | -5.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 600.53 | Num_heavy_atoms: | 41 |
| TPSA: | 329.31 | NumAromaticRings: | 0 |
