Glycoside
...
GD034013

Name:
None

Formula:
C44H83O13N3

Smiles:
CCC(=O)NCCCO[C@@H]1[C@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)C(=O)O[C@H](CC)[C@]1(C)O

Aglycone:
CCC(=O)NCCCOC1C(C)N(C)CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 5 FractionCSP3: 0.95
AlogP: 2.84 Num_rotatable_bonds: 13
MolWt: 862.16 Num_heavy_atoms: 60
TPSA: 198.18 NumAromaticRings: 0

Unique Aglycone
AD21672
Formula: C36H69O10N3

Smiles:
CCC(=O)NCCCOC1C(C)N(C)CC(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C1(C)O
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.94
AlogP: 1.92 Num_rotatable_bonds: 10
MolWt: 703.96 Num_heavy_atoms: 49
TPSA: 170.49 NumAromaticRings: 0

Sugarmoiety
SD00005

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