Glycoside
...
GD014324

Name:
None

Formula:
C43H77O14N3

Smiles:
CCCNC(=O)O[C@@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@]3(C)OC(=O)O[C@H]3[C@@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)C[C@]1(C)OC

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.CCCNC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 4.23 Num_rotatable_bonds: 10
MolWt: 860.1 Num_heavy_atoms: 60
TPSA: 193.25 NumAromaticRings: 0

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
AD04212
Formula: C4H9O2N

Smiles:
CCCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.75
AlogP: 0.66 Num_rotatable_bonds: 2
MolWt: 103.12 Num_heavy_atoms: 7
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00005

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