Glycoside
...
GD021404

Name:
None

Formula:
C30H39O12N3

Smiles:
C#CCONC(=O)O[C@@H]1[C@H](O)[C@H](Oc2ccc3c(O)c(C(C)=NOCCN4CCOCC4)c(=O)oc3c2C)OC(C)(C)[C@H]1OC

Aglycone:
C#CCONC(=O)O.CC(=NOCCN1CCOCC1)c1c(O)c2ccc(O)c(C)c2oc1=O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 3 FractionCSP3: 0.57
AlogP: 1.43 Num_rotatable_bonds: 11
MolWt: 633.65 Num_heavy_atoms: 45
TPSA: 179.98 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
AD13935
Formula: C18H22O6N2

Smiles:
CC(=NOCCN1CCOCC1)c1c(O)c2ccc(O)c(C)c2oc1=O
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 1.59 Num_rotatable_bonds: 5
MolWt: 362.38 Num_heavy_atoms: 26
TPSA: 104.73 NumAromaticRings: 2

Sugarmoiety
SD00066

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