Glycoside
...
GD014807

Name:
None

Formula:
C38H52O10N7P

Smiles:
CC[C@H](C)[C@H](NP(=O)(N[C@H](C(=O)OCc1ccccc1)[C@H](C)CC)OC[C@@H]1O[C@H](n2cnc3c(OC)nc(N)nc32)[C@@](C)(O)[C@H]1O)C(=O)OCc1ccccc1

Aglycone:
CCC(C)C(NP(=O)(NC(C(=O)OCc1ccccc1)C(C)CC)OC)C(=O)OCc1ccccc1.COc1nc(N)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 6 FractionCSP3: 0.5
AlogP: 4.05 Num_rotatable_bonds: 19
MolWt: 797.85 Num_heavy_atoms: 56
TPSA: 231.5 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
AD10849
Formula: C27H39O6N2P

Smiles:
CCC(C)C(NP(=O)(NC(C(=O)OCc1ccccc1)C(C)CC)OC)C(=O)OCc1ccccc1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 5.24 Num_rotatable_bonds: 15
MolWt: 518.59 Num_heavy_atoms: 36
TPSA: 102.96 NumAromaticRings: 2

Sugarmoiety
SD00027

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