Glycoside
GD146287
Name:
NoneFormula:
C22H33O13N9P3SSmiles:
CC1=C(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)SCN1Cc1cnc(C)[nH]c1=[NH2+]Aglycone:
COP(=O)(O)OP(=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: | 22 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 14 |
| MolWt: | 756.54 | Num_heavy_atoms: | 48 |
| TPSA: | 325.64 | 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 |
AD58672
Formula: C13H24O10N4P3S
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)OCCC1=C(C)N(Cc2cnc(C)[nH]c2=[NH2+])CS1| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 521.34 | Num_heavy_atoms: | 31 |
| TPSA: | 206.33 | NumAromaticRings: | 1 |
