Glycoside
...
GD015898

Name:
BULGECIN A

Formula:
C16H29O14N3S2

Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@H](C(=O)NCCS(=O)(=O)O)N[C@H]1CO

Aglycone:
O=C(NCCS(=O)(=O)O)C1CC(O)C(CO)N1.O=S(=O)(O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 8 FractionCSP3: 0.88
AlogP: -5.13 Num_rotatable_bonds: 11
MolWt: 551.55 Num_heavy_atoms: 35
TPSA: 267.35 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD11500
Formula: C8H16O6N2S

Smiles:
O=C(NCCS(=O)(=O)O)C1CC(O)C(CO)N1
HBA: 8 RingCount: 1
HBD: 5 FractionCSP3: 0.88
AlogP: -2.93 Num_rotatable_bonds: 5
MolWt: 268.29 Num_heavy_atoms: 17
TPSA: 135.96 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O