Glycoside
...
GD094164

Name:
None

Formula:
C18H32O10N2S

Smiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@@H]1CCCN1C(=O)C1CCCCC1

Aglycone:
COS(O)(O)O.NC(=O)C1CCCN1C(=O)C1CCCCC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.89
AlogP: -0.36 Num_rotatable_bonds: 6
MolWt: 468.53 Num_heavy_atoms: 31
TPSA: 189.25 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD34536
Formula: C12H20O2N2

Smiles:
NC(=O)C1CCCN1C(=O)C1CCCCC1
HBA: 4 RingCount: 2
HBD: 2 FractionCSP3: 0.83
AlogP: 1.04 Num_rotatable_bonds: 2
MolWt: 224.3 Num_heavy_atoms: 16
TPSA: 63.4 NumAromaticRings: 0

Sugarmoiety
SD00017

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