Glycoside
...
GD002390

Name:
None

Formula:
C33H36O9N5P

Smiles:
COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OCc2ccccc2)Oc2cccc3ccccc23)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12.COc1nc(N)nc2c1C=C[N]2

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.3
AlogP: 4.11 Num_rotatable_bonds: 12
MolWt: 677.65 Num_heavy_atoms: 48
TPSA: 189.51 NumAromaticRings: 5

Unique Aglycone
AD01728
Formula: C21H22O5NP

Smiles:
COP(=O)(NC(C)C(=O)OCc1ccccc1)Oc1cccc2ccccc12
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.19
AlogP: 4.69 Num_rotatable_bonds: 8
MolWt: 399.38 Num_heavy_atoms: 28
TPSA: 73.86 NumAromaticRings: 3
AD02286
Formula: C7H7ON4

Smiles:
COc1nc(N)nc2c1C=C[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.14
AlogP: 0.29 Num_rotatable_bonds: 1
MolWt: 163.16 Num_heavy_atoms: 12
TPSA: 75.13 NumAromaticRings: 1

Sugarmoiety
SD00027

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