Glycoside
...
GD089615

Name:
None

Formula:
C18H31O9NS

Smiles:
O=C(C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
COS(O)(O)O.NC(=O)CC12CC3CC(CC(C3)C1)C2

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

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 7 FractionCSP3: 0.94
AlogP: 0.67 Num_rotatable_bonds: 6
MolWt: 437.51 Num_heavy_atoms: 29
TPSA: 168.94 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
AD33001
Formula: C12H19ON

Smiles:
NC(=O)CC12CC3CC(CC(C3)C1)C2
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.92
AlogP: 2.08 Num_rotatable_bonds: 2
MolWt: 193.29 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 0

Sugarmoiety
SD00017

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