Glycoside
...
GD038694

Name:
[(2s,3r,4s,5s,6r)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-n-[9-[(2r,3s,5r)-5-[[[(2r,3s)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid

Formula:
C21H34O16N6P2

Smiles:
CC(C)[C@@H](O)[C@@H](O)C(=O)NP(=O)(O)O[C@@H]1C[C@@H](O)[C@@H](n2cnc3c(NP(=O)(O)O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]4O)ncnc32)O1

Aglycone:
CC(C)C(O)C(O)C(=O)NP(=O)(O)O.O=P(O)(O)Nc1ncnc2c1N=C[N]2

Sugarmoiety:
OC1CC(O)C(O)O1.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 11 FractionCSP3: 0.71
AlogP: -3.63 Num_rotatable_bonds: 12
MolWt: 688.48 Num_heavy_atoms: 45
TPSA: 337.86 NumAromaticRings: 2

Unique Aglycone
AD24102
Formula: C6H14O6NP

Smiles:
CC(C)C(O)C(O)C(=O)NP(=O)(O)O
HBA: 7 RingCount: 0
HBD: 5 FractionCSP3: 0.83
AlogP: -1.43 Num_rotatable_bonds: 4
MolWt: 227.15 Num_heavy_atoms: 14
TPSA: 127.09 NumAromaticRings: 0
AD24103
Formula: C5H5O3N5P

Smiles:
O=P(O)(O)Nc1ncnc2c1N=C[N]2
HBA: 8 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.11 Num_rotatable_bonds: 2
MolWt: 214.1 Num_heavy_atoms: 14
TPSA: 121.8 NumAromaticRings: 1

Sugarmoiety
SD03411

OC1CC(O)C(O)O1.OCC1OC(O)C(O)C(O)C1O