Glycoside
...
GD125604

Name:
Tricalysioside X

Formula:
C26H44O12S

Smiles:
CC1(COC2OC(CO)C(OS(=O)(=O)O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC21)C(O)(CO)C3O

Aglycone:
CC1(CO)CCCC2(C)C1CCC13CC(CCC21)C(O)(CO)C3O.O=S(=O)(O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 1.0
AlogP: -0.26 Num_rotatable_bonds: 7
MolWt: 580.69 Num_heavy_atoms: 39
TPSA: 203.44 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD45631
Formula: C20H34O4

Smiles:
CC1(CO)CCCC2(C)C1CCC13CC(CCC21)C(O)(CO)C3O
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 1.0
AlogP: 2.09 Num_rotatable_bonds: 2
MolWt: 338.49 Num_heavy_atoms: 24
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O