Glycoside
...
GD031506

Name:
None

Formula:
C44H48O10N7P

Smiles:
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)N[C@H](Cc2ccccc2)C(=O)OCc2ccccc2)[C@H](O)[C@]1(C)O

Aglycone:
COP(=O)(NC(Cc1ccccc1)C(=O)OCc1ccccc1)NC(Cc1ccccc1)C(=O)OCc1ccccc1.COc1nc(N)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 6 FractionCSP3: 0.3
AlogP: 4.44 Num_rotatable_bonds: 19
MolWt: 865.88 Num_heavy_atoms: 62
TPSA: 231.5 NumAromaticRings: 6

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
AD20291
Formula: C33H35O6N2P

Smiles:
COP(=O)(NC(Cc1ccccc1)C(=O)OCc1ccccc1)NC(Cc1ccccc1)C(=O)OCc1ccccc1
HBA: 8 RingCount: 4
HBD: 2 FractionCSP3: 0.21
AlogP: 5.63 Num_rotatable_bonds: 15
MolWt: 586.63 Num_heavy_atoms: 42
TPSA: 102.96 NumAromaticRings: 4

Sugarmoiety
SD00027

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