Glycoside
...
GD029558

Name:
None

Formula:
C28H42O9N2

Smiles:
Cc1c(Cc2ccc(OC(C)C)cc2)c(O[C@@H]2O[C@H](COC(=O)OCC(C)C)[C@H](O)[C@H](O)[C@H]2O)nn1C(C)C

Aglycone:
COC(=O)OCC(C)C.Cc1c(Cc2ccc(OC(C)C)cc2)c(O)nn1C(C)C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.64
AlogP: 3.15 Num_rotatable_bonds: 11
MolWt: 550.65 Num_heavy_atoms: 39
TPSA: 141.73 NumAromaticRings: 2

Unique Aglycone
AD12478
Formula: C17H24O2N2

Smiles:
Cc1c(Cc2ccc(OC(C)C)cc2)c(O)nn1C(C)C
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.47
AlogP: 3.86 Num_rotatable_bonds: 5
MolWt: 288.39 Num_heavy_atoms: 21
TPSA: 47.28 NumAromaticRings: 2
AD15946
Formula: C6H12O3

Smiles:
COC(=O)OCC(C)C
HBA: 3 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.43 Num_rotatable_bonds: 2
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 35.53 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O