Glycoside

GD030465
Name:
NoneFormula:
C17H27O14N5P2Smiles:
CC1CC(OP(=O)(O)OP(=O)(O)OC[C@@H]2OC(n3cnc4c(O)nc(N)nc43)[C@H](O)[C@H]2O)C(O)C(O)C1OAglycone:
COP(=O)(O)OP(=O)(O)OC1CC(C)C(O)C(O)C1O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 19 | RingCount: | 4 |
HBD: | 10 | FractionCSP3: | 0.71 |
AlogP: | -2.52 | Num_rotatable_bonds: | 8 |
MolWt: | 587.37 | Num_heavy_atoms: | 38 |
TPSA: | 302.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2HBA: | 6 | RingCount: | 2 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
MolWt: | 150.12 | Num_heavy_atoms: | 11 |
TPSA: | 98.49 | NumAromaticRings: | 1 |
AD19713
Formula: C8H18O10P2
Smiles:
COP(=O)(O)OP(=O)(O)OC1CC(C)C(O)C(O)C1OHBA: | 10 | RingCount: | 1 |
HBD: | 5 | FractionCSP3: | 1.0 |
AlogP: | -0.64 | Num_rotatable_bonds: | 5 |
MolWt: | 336.17 | Num_heavy_atoms: | 20 |
TPSA: | 162.98 | NumAromaticRings: | 0 |