Glycoside
...
GD037055

Name:
None

Formula:
C37H52O20N15P3

Smiles:
CO[C@@H]1[C@@H](OP(=O)(O)OC[C@@H]2CN(Cc3c[nH]c4c(N)ncnc34)C[C@H]2OP(=O)(O)OCCCO)[C@H](COP(=O)(O)O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H]2OC)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21

Aglycone:
COP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c(CN3CC(COP(=O)(O)O)C(OP(=O)(O)OCCCO)C3)c[nH]c12

Sugarmoiety:
COC1C(O)OC(CO)C1O.COC1OC(CO)OC1O

Other Identifiers

Properties
HBA: 35 RingCount: 9
HBD: 14 FractionCSP3: 0.57
AlogP: -1.89 Num_rotatable_bonds: 23
MolWt: 1119.83 Num_heavy_atoms: 75
TPSA: 494.67 NumAromaticRings: 6

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
AD00207
Formula: C5H4ON5

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.74 Num_rotatable_bonds: 0
MolWt: 150.12 Num_heavy_atoms: 11
TPSA: 98.23 NumAromaticRings: 1
AD21697
Formula: C15H25O9N5P2

Smiles:
Nc1ncnc2c(CN3CC(COP(=O)(O)O)C(OP(=O)(O)OCCCO)C3)c[nH]c12
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.6
AlogP: -0.03 Num_rotatable_bonds: 11
MolWt: 481.34 Num_heavy_atoms: 31
TPSA: 213.58 NumAromaticRings: 2

Sugarmoiety
SD03292

COC1C(O)OC(CO)C1O.COC1OC(CO)OC1O