Glycoside
...
GD094080

Name:
None

Formula:
C21H28O10N2S

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]1C[C@@]12C(=O)N(CC1CC1)c1ccccc12

Aglycone:
COS(O)(O)O.NC(=O)C1CC12C(=O)N(CC1CC1)c1ccccc12

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.62
AlogP: -0.22 Num_rotatable_bonds: 7
MolWt: 500.53 Num_heavy_atoms: 34
TPSA: 189.25 NumAromaticRings: 1

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
AD36851
Formula: C15H16O2N2

Smiles:
NC(=O)C1CC12C(=O)N(CC1CC1)c1ccccc12
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.47
AlogP: 1.19 Num_rotatable_bonds: 3
MolWt: 256.31 Num_heavy_atoms: 19
TPSA: 63.4 NumAromaticRings: 1

Sugarmoiety
SD00017

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