Glycoside

GD038119
Name:
2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)Formula:
C11H17O10N5P2SSmiles:
CSc1nc(N)c2ncn([C@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]3O)c2n1Aglycone:
COP(=O)(O)OP(=O)(O)O.CSc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.55 |
AlogP: | -1.02 | Num_rotatable_bonds: | 7 |
MolWt: | 473.3 | Num_heavy_atoms: | 29 |
TPSA: | 232.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OHBA: | 7 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
MolWt: | 192.0 | Num_heavy_atoms: | 10 |
TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00851
Formula: C6H6N5S
Smiles:
CSc1nc(N)c2c(n1)[N]C=N2HBA: | 5 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.17 |
AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
MolWt: | 180.22 | Num_heavy_atoms: | 12 |
TPSA: | 78.26 | NumAromaticRings: | 1 |