Glycoside
...
GD025950

Name:
None

Formula:
C40H53O19N13P2

Smiles:
COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@H](O)[C@@H](n3cnc4c(N(C)C)ncnc43)O[C@H]2COP(=O)(O)O[C@@H]2[C@H](COP(=O)(O)O[C@@H]3[C@H](CO)O[C@H](n4ccc(N)nc4=O)[C@H]3O)O[C@H](n3ccc(N)nc3=O)[C@H]2O)cc1

Aglycone:
COP(=O)(O)O.COc1ccc(CC(N)C(=O)NC2C(COP(=O)(O)O)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1

Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 8
HBD: 13 FractionCSP3: 0.5
AlogP: -3.59 Num_rotatable_bonds: 20
MolWt: 1081.88 Num_heavy_atoms: 74
TPSA: 453.14 NumAromaticRings: 5

Unique Aglycone
AD00079
Formula: CH5O4P

Smiles:
COP(=O)(O)O
HBA: 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
AD00115
Formula: C4H5ON3

Smiles:
Nc1cc[nH]c(=O)n1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 111.1 Num_heavy_atoms: 8
TPSA: 71.77 NumAromaticRings: 1
AD17146
Formula: C22H30O8N7P

Smiles:
COc1ccc(CC(N)C(=O)NC2C(COP(=O)(O)O)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.45
AlogP: -0.68 Num_rotatable_bonds: 10
MolWt: 551.5 Num_heavy_atoms: 38
TPSA: 207.41 NumAromaticRings: 3

Sugarmoiety
SD00153

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C1O