Glycoside
GD136157
Name:
2-[(2-{[2-amino-3-({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-1-hydroxypropylidene]amino}-1,3-dihydroxypropylidene)amino]acetic acidFormula:
C16H28O11N4Smiles:
CC(O)=NC1C(OCC(N)C(O)=NC(CO)C(O)=NCC(=O)O)OC(CO)C(O)C1OAglycone:
NC(CO)C(O)=NC(CO)C(O)=NCC(=O)OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 11 |
| MolWt: | 452.42 | Num_heavy_atoms: | 31 |
| TPSA: | 260.47 | NumAromaticRings: | 0 |
Unique Aglycone
AD55036
Formula: C8H15O6N3
Smiles:
NC(CO)C(O)=NC(CO)C(O)=NCC(=O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 249.22 | Num_heavy_atoms: | 17 |
| TPSA: | 168.96 | NumAromaticRings: | 0 |
