Glycoside
...
GD000496

Name:
None

Formula:
C34H65O8N5S2

Smiles:
CCCCCC(=O)O[C@H]1[C@H](OC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@@H](OC)O[C@H]1CSCCNC(=S)NCCN(CCN)CCN

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CSCCNC(=S)NCCN(CCN)CCN

Sugarmoiety:
COC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 1
HBD: 6 FractionCSP3: 0.88
AlogP: 3.25 Num_rotatable_bonds: 28
MolWt: 736.05 Num_heavy_atoms: 49
TPSA: 176.7 NumAromaticRings: 0

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD00553
Formula: C10H25N5S2

Smiles:
CSCCNC(=S)NCCN(CCN)CCN
HBA: 5 RingCount: 0
HBD: 6 FractionCSP3: 0.9
AlogP: -0.97 Num_rotatable_bonds: 10
MolWt: 279.48 Num_heavy_atoms: 17
TPSA: 79.34 NumAromaticRings: 0

Sugarmoiety
SD00009

COC1OC(O)C(O)C(O)C1O