Glycoside
...
GD015569

Name:
None

Formula:
C29H36O8N2

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(CN4CCCC4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(CN3CCCC3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 2 FractionCSP3: 0.52
AlogP: 3.45 Num_rotatable_bonds: 7
MolWt: 540.61 Num_heavy_atoms: 39
TPSA: 123.46 NumAromaticRings: 3

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD11302
Formula: C15H17O3N

Smiles:
Cc1c(O)ccc2c(CN3CCCC3)cc(=O)oc12
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.4
AlogP: 2.4 Num_rotatable_bonds: 2
MolWt: 259.3 Num_heavy_atoms: 19
TPSA: 53.68 NumAromaticRings: 2

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C