Glycoside
...
GD025818

Name:
None

Formula:
C45H75O12N3

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)(O)C[C@H](C)CN2C(=NCc3ccccc3)O[C@H]([C@H]2C)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN2C(=NCc3ccccc3)OC(C2C)C1(C)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 4 FractionCSP3: 0.82
AlogP: 3.87 Num_rotatable_bonds: 9
MolWt: 850.1 Num_heavy_atoms: 60
TPSA: 181.44 NumAromaticRings: 1

Unique Aglycone
AD17083
Formula: C37H61O9N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN2C(=NCc3ccccc3)OC(C2C)C1(C)O
HBA: 12 RingCount: 4
HBD: 4 FractionCSP3: 0.78
AlogP: 2.94 Num_rotatable_bonds: 6
MolWt: 691.91 Num_heavy_atoms: 49
TPSA: 153.75 NumAromaticRings: 1

Sugarmoiety
SD00005

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