Glycoside
...
GD004459

Name:
None

Formula:
C60H102O27S8

Smiles:
O=C(O)CCSCCCOC[C@@H]1O[C@H](O[C@@]2(COCCCSCCC(=O)O)O[C@H](COCCCSCCC(=O)O)[C@H](OCCCSCCC(=O)O)[C@H]2OCCCSCCC(=O)O)[C@H](OCCCSCCC(=O)O)[C@H](OCCCSCCC(=O)O)[C@H]1OCCCSCCC(=O)O

Aglycone:
COCCCSCCC(=O)O.COCCCSCCC(=O)O.COCCCSCCC(=O)O.O=C(O)CCSCCCO.O=C(O)CCSCCCO.O=C(O)CCSCCCO.O=C(O)CCSCCCO.O=C(O)CCSCCCO

Sugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 2
HBD: 8 FractionCSP3: 0.87
AlogP: 7.58 Num_rotatable_bonds: 69
MolWt: 1511.99 Num_heavy_atoms: 95
TPSA: 399.93 NumAromaticRings: 0

Unique Aglycone
AD03165
Formula: C7H14O3S

Smiles:
COCCCSCCC(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.86
AlogP: 1.23 Num_rotatable_bonds: 7
MolWt: 178.25 Num_heavy_atoms: 11
TPSA: 46.53 NumAromaticRings: 0
AD03166
Formula: C6H12O3S

Smiles:
O=C(O)CCSCCCO
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.83
AlogP: 0.58 Num_rotatable_bonds: 6
MolWt: 164.23 Num_heavy_atoms: 10
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00058

OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1O