Glycoside
...
GD029080

Name:
BENGAMIDE O

Formula:
C33H60O8N2

Smiles:
CCC(C)CCCCCCCCCCC(=O)O[C@@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@H](O)[C@H](O)C=CC(C)C)C(=O)N(C)C1

Aglycone:
C=CC(C)C.CCC(C)CCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1

Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 4 FractionCSP3: 0.85
AlogP: 3.89 Num_rotatable_bonds: 21
MolWt: 612.85 Num_heavy_atoms: 43
TPSA: 145.63 NumAromaticRings: 0

Unique Aglycone
AD00557
Formula: C5H10

Smiles:
C=CC(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.6
AlogP: 1.83 Num_rotatable_bonds: 1
MolWt: 70.13 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 0
AD18954
Formula: C22H42O3N2

Smiles:
CCC(C)CCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.91
AlogP: 4.42 Num_rotatable_bonds: 13
MolWt: 382.59 Num_heavy_atoms: 27
TPSA: 72.63 NumAromaticRings: 0

Sugarmoiety
SD00152

COC(C(=O)O)C(O)C(O)C(O)O