Glycoside
...
GD138042

Name:
None

Formula:
C30H44O9N2S2

Smiles:
CC(=CC(=O)OCCCCCCCC(O)=Nc1c(O)nc2cssc1-2)CC1OCC(O)(CC=CC(C)C(C)O)C(O)C1O

Aglycone:
CC(C)=CC(=O)OCCCCCCCC(O)=Nc1c(O)nc2cssc1-2.CC=CC(C)C(C)O

Sugarmoiety:
OC1OCC(O)(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 6 FractionCSP3: 0.63
AlogP: 4.64 Num_rotatable_bonds: 16
MolWt: 640.82 Num_heavy_atoms: 43
TPSA: 182.16 NumAromaticRings: 0

Unique Aglycone
AD55741
Formula: C18H24O4N2S2

Smiles:
CC(C)=CC(=O)OCCCCCCCC(O)=Nc1c(O)nc2cssc1-2
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 5.45 Num_rotatable_bonds: 10
MolWt: 396.53 Num_heavy_atoms: 26
TPSA: 92.01 NumAromaticRings: 0
AD55742
Formula: C7H14O

Smiles:
CC=CC(C)C(C)O
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 0.71
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 114.19 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD07025

OC1OCC(O)(O)C(O)C1O