Glycoside
...
GD114688

Name:
None

Formula:
C27H42O9N2S

Smiles:
CCCC1CC(C(O)=NC(C(C)OC)C2OC(SCCOC(=O)c3ccccc3O)C(O)C(O)C2O)N(C)C1

Aglycone:
CCCC1CC(C(O)=NCC(C)OC)N(C)C1.O=C(OCCS)c1ccccc1O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.7
AlogP: 1.57 Num_rotatable_bonds: 12
MolWt: 570.71 Num_heavy_atoms: 39
TPSA: 161.51 NumAromaticRings: 1

Unique Aglycone
AD44163
Formula: C9H10O3S

Smiles:
O=C(OCCS)c1ccccc1O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.48 Num_rotatable_bonds: 3
MolWt: 198.24 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD45216
Formula: C13H26O2N2

Smiles:
CCCC1CC(C(O)=NCC(C)OC)N(C)C1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.92
AlogP: 2.1 Num_rotatable_bonds: 6
MolWt: 242.36 Num_heavy_atoms: 17
TPSA: 45.06 NumAromaticRings: 0

Sugarmoiety
SD00017

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