Glycoside
...
GD157619

Name:
Microtropin B

Formula:
C17H29O9N

Smiles:
CCC(O)(C(=O)OCC1OC(OC(C)C(C)C#N)C(O)C(O)C1O)C(C)O

Aglycone:
CC(O)C(C)C#N.CCC(O)(C(=O)OC)C(C)O

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

Other Identifiers

Properties
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.88
AlogP: -1.58 Num_rotatable_bonds: 8
MolWt: 391.42 Num_heavy_atoms: 27
TPSA: 169.7 NumAromaticRings: 0

Unique Aglycone
AD25080
Formula: C5H9ON

Smiles:
CC(O)C(C)C#N
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 0.53 Num_rotatable_bonds: 1
MolWt: 99.13 Num_heavy_atoms: 7
TPSA: 44.02 NumAromaticRings: 0
AD51417
Formula: C7H14O4

Smiles:
CCC(O)(C(=O)OC)C(C)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.86
AlogP: -0.32 Num_rotatable_bonds: 3
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD00017

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