Glycoside
...
GD001501

Name:
None

Formula:
C35H56O8N2

Smiles:
CCCCCCCCCCc1ccc(C(=O)O[C@@H]2CCC(NC(=O)[C@H](OC)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C)C(=O)NC2)cc1

Aglycone:
C=CC(C)(C)C.CCCCCCCCCCc1ccc(C(=O)OC2CCC(N)C(=O)NC2)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 5 FractionCSP3: 0.69
AlogP: 3.99 Num_rotatable_bonds: 18
MolWt: 632.84 Num_heavy_atoms: 45
TPSA: 154.42 NumAromaticRings: 1

Unique Aglycone
AD00410
Formula: C6H12

Smiles:
C=CC(C)(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 2.22 Num_rotatable_bonds: 0
MolWt: 84.16 Num_heavy_atoms: 6
TPSA: 0.0 NumAromaticRings: 0
AD01500
Formula: C23H36O3N2

Smiles:
CCCCCCCCCCc1ccc(C(=O)OC2CCC(N)C(=O)NC2)cc1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.65
AlogP: 4.13 Num_rotatable_bonds: 11
MolWt: 388.55 Num_heavy_atoms: 28
TPSA: 81.42 NumAromaticRings: 1

Sugarmoiety
SD00152

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