Glycoside

GD127934
Name:
TzrmpFormula:
C15H22O8N5PSmiles:
CC(=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O)COAglycone:
CC(=CCNc1ncnc2c1N=C[N]2)CO.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.53 |
AlogP: | -1.09 | Num_rotatable_bonds: | 8 |
MolWt: | 431.34 | Num_heavy_atoms: | 29 |
TPSA: | 192.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 1.0 |
AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
MolWt: | 112.02 | Num_heavy_atoms: | 6 |
TPSA: | 66.76 | NumAromaticRings: | 0 |
AD30330
Formula: C10H12ON5
Smiles:
CC(=CCNc1ncnc2c1N=C[N]2)COHBA: | 6 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.3 |
AlogP: | 0.74 | Num_rotatable_bonds: | 4 |
MolWt: | 218.24 | Num_heavy_atoms: | 16 |
TPSA: | 84.5 | NumAromaticRings: | 1 |