Glycoside
GD038618
Name:
1-{(2r,3r,4s,5r)-5-[(s)-{[(2s,3s,4s)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name)Formula:
C17H23O14N5Smiles:
NC(=O)OC[C@H](O)[C@H](O)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@H](n2cc(C(=O)O)c(=O)[nH]c2=O)[C@@H](O)[C@H]1OAglycone:
NC(=O)OCC(O)C(O)C(N)C(=O)NCC(=O)O.O=C(O)c1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -6.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 521.39 | Num_heavy_atoms: | 36 |
| TPSA: | 327.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD02691
Formula: C5H4O4N2
Smiles:
O=C(O)c1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.1 | Num_heavy_atoms: | 11 |
| TPSA: | 103.02 | NumAromaticRings: | 1 |
AD07659
Formula: C8H15O7N3
Smiles:
NC(=O)OCC(O)C(O)C(N)C(=O)NCC(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 265.22 | Num_heavy_atoms: | 18 |
| TPSA: | 185.2 | NumAromaticRings: | 0 |
