Glycoside
...
GD009186

Name:
None

Formula:
C36H44O10N7P

Smiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N2CCC[C@H]2C(=O)OCc2ccccc2)N2CCC[C@H]2C(=O)OCc2ccccc2)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(N1CCCC1C(=O)OCc1ccccc1)N1CCCC1C(=O)OCc1ccccc1.COc1nc(N)nc2c1N=C[N]2

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 4 FractionCSP3: 0.47
AlogP: 2.97 Num_rotatable_bonds: 13
MolWt: 765.76 Num_heavy_atoms: 54
TPSA: 213.92 NumAromaticRings: 4

Unique Aglycone
AD01261
Formula: C6H6ON5

Smiles:
COc1nc(N)nc2c1N=C[N]2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.17
AlogP: -0.02 Num_rotatable_bonds: 1
MolWt: 164.15 Num_heavy_atoms: 12
TPSA: 87.49 NumAromaticRings: 1
AD07226
Formula: C25H31O6N2P

Smiles:
COP(=O)(N1CCCC1C(=O)OCc1ccccc1)N1CCCC1C(=O)OCc1ccccc1
HBA: 8 RingCount: 4
HBD: 0 FractionCSP3: 0.44
AlogP: 4.16 Num_rotatable_bonds: 9
MolWt: 486.51 Num_heavy_atoms: 34
TPSA: 85.38 NumAromaticRings: 2

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O