Glycoside

GD040160
Name:
(3r,4s,5r,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphateFormula:
C16H27O14N3P2Smiles:
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]3O[C@H](C)[C@@H](O)[C@@H](N)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=OSugarmoiety:
CC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 3 |
HBD: | 8 | FractionCSP3: | 0.75 |
AlogP: | -2.46 | Num_rotatable_bonds: | 8 |
MolWt: | 547.35 | Num_heavy_atoms: | 35 |
TPSA: | 262.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD16349
Formula: C10H16O11N2P2
Smiles:
Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=OHBA: | 13 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.6 |
AlogP: | -1.28 | Num_rotatable_bonds: | 6 |
MolWt: | 402.19 | Num_heavy_atoms: | 25 |
TPSA: | 197.61 | NumAromaticRings: | 1 |