Glycoside

GD038905
Name:
5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosineFormula:
C24H33O11N7P2Smiles:
NC(=O)c1cccc(CN2C[C@@H](CO[P@@](=O)(O)C[P@](=O)(O)OC[C@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)C2)c1Aglycone:
COP(=O)(O)CP(=O)(O)OCC1CN(Cc2cccc(C(N)=O)c2)CC1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 18 | RingCount: | 5 |
HBD: | 9 | FractionCSP3: | 0.5 |
AlogP: | -1.02 | Num_rotatable_bonds: | 12 |
MolWt: | 657.51 | Num_heavy_atoms: | 44 |
TPSA: | 278.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 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 |
AD24178
Formula: C15H24O8N2P2
Smiles:
COP(=O)(O)CP(=O)(O)OCC1CN(Cc2cccc(C(N)=O)c2)CC1OHBA: | 10 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.53 |
AlogP: | 0.57 | Num_rotatable_bonds: | 9 |
MolWt: | 422.31 | Num_heavy_atoms: | 27 |
TPSA: | 159.62 | NumAromaticRings: | 1 |