Glycoside
GD155535
Name:
2-[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamido]-2-[5-(3-formyl-4-hydroxy-1H-pyrazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acidFormula:
C20H25O10N5Smiles:
CC(C(N)C(O)=NC(C(=O)O)C1OC(n2cc(O)c(C=O)n2)C(O)C1O)C(O)c1ccc(O)cn1Aglycone:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1.O=CC1=N[N]C=C1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.45 | Num_heavy_atoms: | 35 |
| TPSA: | 254.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD45908
Formula: C12H17O5N3
Smiles:
CC(C(N)C(O)=NCC(=O)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 283.28 | Num_heavy_atoms: | 20 |
| TPSA: | 149.26 | NumAromaticRings: | 1 |
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 |
