Glycoside
...
GD012036

Name:
None

Formula:
C38H61O10N3S2

Smiles:
CCCCCCCCC=CCCCCCCCCCCCC(=O)Nc1nnc(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)s1

Aglycone:
CCCCCCCCC=CCCCCCCCCCCCC(=O)Nc1nnc(S)s1.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 1 FractionCSP3: 0.76
AlogP: 8.25 Num_rotatable_bonds: 27
MolWt: 784.05 Num_heavy_atoms: 53
TPSA: 169.31 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD07834
Formula: C24H43ON3S2

Smiles:
CCCCCCCCC=CCCCCCCCCCCCC(=O)Nc1nnc(S)s1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.79
AlogP: 8.36 Num_rotatable_bonds: 20
MolWt: 453.76 Num_heavy_atoms: 30
TPSA: 54.88 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O