Glycoside
...
GD006157

Name:
None

Formula:
C51H79O14N6Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cn(Cc4ccccc4Cl)nn3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C.O=C(O)NCc1cn(Cc2ccccc2Cl)nn1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 3 FractionCSP3: 0.78
AlogP: 5.31 Num_rotatable_bonds: 12
MolWt: 1023.66 Num_heavy_atoms: 71
TPSA: 223.96 NumAromaticRings: 2

Unique Aglycone
AD00823
Formula: C31H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.16 Num_rotatable_bonds: 4
MolWt: 616.79 Num_heavy_atoms: 43
TPSA: 147.46 NumAromaticRings: 0
AD05120
Formula: C12H11O2N4Cl

Smiles:
O=C(O)NCc1cn(Cc2ccccc2Cl)nn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.75 Num_rotatable_bonds: 4
MolWt: 266.69 Num_heavy_atoms: 18
TPSA: 80.04 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O