Glycoside
...
GD113775

Name:
None

Formula:
C49H46O7S2

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

Aglycone:
CCSCSCC.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.c1ccc(C(c2ccccc2)c2ccccc2)cc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 6
HBD: 0 FractionCSP3: 0.2
AlogP: 10.5 Num_rotatable_bonds: 19
MolWt: 811.03 Num_heavy_atoms: 58
TPSA: 88.13 NumAromaticRings: 6

Unique Aglycone
AD00424
Formula: C19H16

Smiles:
c1ccc(C(c2ccccc2)c2ccccc2)cc1
HBA: 0 RingCount: 3
HBD: 0 FractionCSP3: 0.05
AlogP: 4.87 Num_rotatable_bonds: 3
MolWt: 244.34 Num_heavy_atoms: 19
TPSA: 0.0 NumAromaticRings: 3
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
AD17625
Formula: C5H12S2

Smiles:
CCSCSCC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 2.45 Num_rotatable_bonds: 4
MolWt: 136.29 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 0

Sugarmoiety
SD00107

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