Glycoside
...
GD033445

Name:
None

Formula:
C36H48O10N7PS2

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

Aglycone:
COP(=O)(NC(CCSC)C(=O)OCc1ccccc1)NC(CCSC)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: 0.47
AlogP: 3.46 Num_rotatable_bonds: 21
MolWt: 833.93 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
AD21344
Formula: C25H35O6N2PS2

Smiles:
COP(=O)(NC(CCSC)C(=O)OCc1ccccc1)NC(CCSC)C(=O)OCc1ccccc1
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.44
AlogP: 4.65 Num_rotatable_bonds: 17
MolWt: 554.67 Num_heavy_atoms: 36
TPSA: 102.96 NumAromaticRings: 2

Sugarmoiety
SD00027

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