Glycoside
...
GD113744

Name:
None

Formula:
C41H44O8S2

Smiles:
CC(C)CSC(SCC(C)C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1

Aglycone:
CC(C)CSCSCC(C)C.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1

Sugarmoiety:
OOCC(OO)C(OO)C(O)OO

Other Identifiers

Properties
HBA: 8 RingCount: 4
HBD: 0 FractionCSP3: 0.32
AlogP: 8.62 Num_rotatable_bonds: 18
MolWt: 728.93 Num_heavy_atoms: 51
TPSA: 105.2 NumAromaticRings: 4

Unique Aglycone
AD01696
Formula: C7H6O

Smiles:
O=Cc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 106.12 Num_heavy_atoms: 8
TPSA: 17.07 NumAromaticRings: 1
AD27197
Formula: C9H20S2

Smiles:
CC(C)CSCSCC(C)C
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 3.72 Num_rotatable_bonds: 6
MolWt: 192.39 Num_heavy_atoms: 11
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD00107

OOCC(OO)C(OO)C(O)OO