Glycoside
GD123197
Name:
2-({6-[(1-amino-1-carboxypropan-2-yl)oxy]-5-acetamido-3,4-dihydroxyoxan-2-yl}methoxy)-4-hydroxy-5-(2-{[(2-methoxyethoxy)carbonyl]amino}acetamido)-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C27H46O19N4Smiles:
COCCOC(O)=NCC(O)=NC1C(O)CC(OCC2OC(OC(C)C(N)C(=O)O)C(N=C(C)O)C(O)C2O)(C(=O)O)OC1C(O)C(O)COAglycone:
CC(O)C(N)C(=O)O.COCCOC(O)=NCC(O)=NC1C(O)CC(OC)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
CC(O)=NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 0.81 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 18 |
| MolWt: | 730.67 | Num_heavy_atoms: | 50 |
| TPSA: | 375.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD02859
Formula: C4H9O3N
Smiles:
CC(O)C(N)C(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 119.12 | Num_heavy_atoms: | 8 |
| TPSA: | 83.55 | NumAromaticRings: | 0 |
AD49701
Formula: C16H28O12N2
Smiles:
COCCOC(O)=NCC(O)=NC1C(O)CC(OC)(C(=O)O)OC1C(O)C(O)CO| HBA: | 14 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 440.4 | Num_heavy_atoms: | 30 |
| TPSA: | 220.32 | NumAromaticRings: | 0 |
