Glycoside
...
GD033448

Name:
None

Formula:
C29H37O12N3

Smiles:
C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(=O)NCCN4CCOCC4)c(=O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
C#CCONC(=O)O.Cc1c(O)ccc2c(O)c(C(=O)NCCN3CCOCC3)c(=O)oc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 4 FractionCSP3: 0.55
AlogP: 0.42 Num_rotatable_bonds: 10
MolWt: 619.62 Num_heavy_atoms: 44
TPSA: 187.49 NumAromaticRings: 2

Unique Aglycone
AD00474
Formula: C4H5O3N

Smiles:
C#CCONC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.25
AlogP: -0.18 Num_rotatable_bonds: 2
MolWt: 115.09 Num_heavy_atoms: 8
TPSA: 58.56 NumAromaticRings: 0
AD21346
Formula: C17H20O6N2

Smiles:
Cc1c(O)ccc2c(O)c(C(=O)NCCN3CCOCC3)c(=O)oc12
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.41
AlogP: 0.57 Num_rotatable_bonds: 4
MolWt: 348.36 Num_heavy_atoms: 25
TPSA: 112.24 NumAromaticRings: 2

Sugarmoiety
SD00066

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