Glycoside
...
GD038905

Name:
5'-o-[(r)-{[(r)-{[(3r,4r)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine

Formula:
C24H33O11N7P2

Smiles:
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)c1

Aglycone:
COP(=O)(O)CP(=O)(O)OCC1CN(Cc2cccc(C(N)=O)c2)CC1O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1OC(O)C(O)C1O

Other 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]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
AD24178
Formula: C15H24O8N2P2

Smiles:
COP(=O)(O)CP(=O)(O)OCC1CN(Cc2cccc(C(N)=O)c2)CC1O
HBA: 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

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O