Glycoside
...
GD008605

Name:
None

Formula:
C27H40O8N7P

Smiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NCc2ccccc2)N[C@H](C)C(=O)OCC(C)(C)C)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NCc1ccccc1)NC(C)C(=O)OCC(C)(C)C.COc1nc(N)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 6 FractionCSP3: 0.56
AlogP: 1.91 Num_rotatable_bonds: 12
MolWt: 621.63 Num_heavy_atoms: 43
TPSA: 205.2 NumAromaticRings: 3

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
AD06848
Formula: C16H27O4N2P

Smiles:
COP(=O)(NCc1ccccc1)NC(C)C(=O)OCC(C)(C)C
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.56
AlogP: 3.1 Num_rotatable_bonds: 8
MolWt: 342.38 Num_heavy_atoms: 23
TPSA: 76.66 NumAromaticRings: 1

Sugarmoiety
SD00027

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