Glycoside
GD125007
Name:
2-[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanamido]-2-[5-(3-formyl-4-hydroxy-1H-pyrazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acidFormula:
C16H23O12N5Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NC(C(=O)O)C1OC(n2cc(O)c(C=O)n2)C(O)C1OAglycone:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(=O)O.O=CC1=N[N]C=C1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 477.38 | Num_heavy_atoms: | 33 |
| TPSA: | 294.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD50548
Formula: C8H15O7N3
Smiles:
N=C(O)OCC(O)C(O)C(N)C(O)=NCC(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 265.22 | Num_heavy_atoms: | 18 |
| TPSA: | 189.68 | NumAromaticRings: | 0 |
AD50549
Formula: C4H3O2N2
Smiles:
O=CC1=N[N]C=C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 63.76 | NumAromaticRings: | 0 |
