Glycoside
...
GD014521

Name:
None

Formula:
C44H74O13N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[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)(OCC=NNc2ccccn2)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=NNc2ccccn2)CC(C)C(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 5 FractionCSP3: 0.82
AlogP: 3.3 Num_rotatable_bonds: 12
MolWt: 867.09 Num_heavy_atoms: 61
TPSA: 220.19 NumAromaticRings: 1

Unique Aglycone
AD10663
Formula: C36H60O10N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OCC=NNc2ccccn2)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.78
AlogP: 2.38 Num_rotatable_bonds: 9
MolWt: 708.89 Num_heavy_atoms: 50
TPSA: 192.5 NumAromaticRings: 1

Sugarmoiety
SD00005

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