Glycoside
...
GD013275

Name:
None

Formula:
C33H42O46S9

Smiles:
C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(OCCOS(=O)(=O)O)c(OCCOS(=O)(=O)O)c4)oc4cc(OCCOS(=O)(=O)O)cc(O)c4c3=O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O

Aglycone:
O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=c1c(O)c(-c2ccc(OCCOS(=O)(=O)O)c(OCCOS(=O)(=O)O)c2)oc2cc(OCCOS(=O)(=O)O)cc(O)c12

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 46 RingCount: 5
HBD: 10 FractionCSP3: 0.55
AlogP: -4.25 Num_rotatable_bonds: 33
MolWt: 1463.26 Num_heavy_atoms: 88
TPSA: 687.45 NumAromaticRings: 3

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
AD09928
Formula: C21H22O19S3

Smiles:
O=c1c(O)c(-c2ccc(OCCOS(=O)(=O)O)c(OCCOS(=O)(=O)O)c2)oc2cc(OCCOS(=O)(=O)O)cc(O)c12
HBA: 19 RingCount: 3
HBD: 5 FractionCSP3: 0.29
AlogP: 0.47 Num_rotatable_bonds: 16
MolWt: 674.59 Num_heavy_atoms: 43
TPSA: 289.16 NumAromaticRings: 3

Sugarmoiety
SD00038

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O