Glycoside
GD039935
Name:
(1s)-1,4-anhydro-5-[(n-carbamimidoylglycyl-n~2~-hydroxy-l-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-d-ribitolFormula:
C17H26O9N8Smiles:
N=C(N)NCC(=O)N(O)[C@H](CCC(N)=O)C(=O)NC[C@H]1O[C@H](c2c[nH]c(=O)[nH]c2=O)[C@H](O)[C@@H]1OAglycone:
CNC(=O)C(CCC(N)=O)N(O)C(=O)CNC(=N)N.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.53 |
| AlogP: | -5.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 486.44 | Num_heavy_atoms: | 34 |
| TPSA: | 290.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24596
Formula: C9H18O4N6
Smiles:
CNC(=O)C(CCC(N)=O)N(O)C(=O)CNC(=N)N| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 274.28 | Num_heavy_atoms: | 19 |
| TPSA: | 174.63 | NumAromaticRings: | 0 |
