Glycoside
GD149068
Name:
NoneFormula:
C22H32O10N9P2SSmiles:
CC1=C(CCOP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)SCN1Cc1cnc(C)[nH]c1=[NH2+]Aglycone:
COP(=O)(O)OP(=O)(O)OCCC1=C(C)N(Cc2cnc(C)[nH]c2=[NH2+])CS1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 676.57 | Num_heavy_atoms: | 44 |
| TPSA: | 279.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD59613
Formula: C13H23O7N4P2S
Smiles:
COP(=O)(O)OP(=O)(O)OCCC1=C(C)N(Cc2cnc(C)[nH]c2=[NH2+])CS1| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 441.36 | Num_heavy_atoms: | 27 |
| TPSA: | 159.8 | NumAromaticRings: | 1 |
