Glycoside
...
GD103486

Name:
None

Formula:
C22H38O9N2

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.C[NH+](C)C1CCC([NH3+])CC1

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 3 FractionCSP3: 0.82
AlogP: -1.91 Num_rotatable_bonds: 8
MolWt: 474.55 Num_heavy_atoms: 33
TPSA: 135.48 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD26622
Formula: C8H20N2

Smiles:
C[NH+](C)C1CCC([NH3+])CC1
HBA: 2 RingCount: 1
HBD: 4 FractionCSP3: 1.0
AlogP: -1.32 Num_rotatable_bonds: 1
MolWt: 144.26 Num_heavy_atoms: 10
TPSA: 32.08 NumAromaticRings: 0

Sugarmoiety
SD04070

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]