Glycoside
...
GD022211

Name:
None

Formula:
C43H78O14N2

Smiles:
CCCCNC(=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@](C)(O)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)C[C@](C)(OC)[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)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.CCCCNC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 4 FractionCSP3: 0.93
AlogP: 3.97 Num_rotatable_bonds: 12
MolWt: 847.1 Num_heavy_atoms: 59
TPSA: 201.01 NumAromaticRings: 0

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD15088
Formula: C5H11O2N

Smiles:
CCCCNC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 1.05 Num_rotatable_bonds: 3
MolWt: 117.15 Num_heavy_atoms: 8
TPSA: 49.33 NumAromaticRings: 0

Sugarmoiety
SD00005

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