Glycoside
...
GD022205

Name:
None

Formula:
C32H43O9N6P

Smiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C(=O)OCC(C)(C)C)C(C)C)Oc2cccc3ccccc23)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NC(C(=O)OCC(C)(C)C)C(C)C)Oc1cccc2ccccc12.COc1nc(N)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 5 FractionCSP3: 0.5
AlogP: 3.99 Num_rotatable_bonds: 12
MolWt: 686.7 Num_heavy_atoms: 48
TPSA: 202.4 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
AD02873
Formula: C21H30O5NP

Smiles:
COP(=O)(NC(C(=O)OCC(C)(C)C)C(C)C)Oc1cccc2ccccc12
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.48
AlogP: 5.18 Num_rotatable_bonds: 8
MolWt: 407.45 Num_heavy_atoms: 28
TPSA: 73.86 NumAromaticRings: 2

Sugarmoiety
SD00027

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