Glycoside
...
GD002396

Name:
None

Formula:
C28H44O12N7P

Smiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OC2CCCCO2)N[C@H](C)C(=O)OC2CCCCO2)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NC(C)C(=O)OC1CCCCO1)NC(C)C(=O)OC1CCCCO1.COc1nc(N)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 6 FractionCSP3: 0.75
AlogP: 0.65 Num_rotatable_bonds: 13
MolWt: 701.67 Num_heavy_atoms: 48
TPSA: 249.96 NumAromaticRings: 2

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
AD02292
Formula: C17H31O8N2P

Smiles:
COP(=O)(NC(C)C(=O)OC1CCCCO1)NC(C)C(=O)OC1CCCCO1
HBA: 10 RingCount: 2
HBD: 2 FractionCSP3: 0.88
AlogP: 1.84 Num_rotatable_bonds: 9
MolWt: 422.42 Num_heavy_atoms: 28
TPSA: 121.42 NumAromaticRings: 0

Sugarmoiety
SD00027

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