Glycoside
...
GD127432

Name:
(4-{[4-({4-[(3-{[3,5-dihydroxy-6-methyl-4-(sulfooxy)oxan-2-yl]oxy}-4-[(4-{[4-hydroxy-6-methyl-3,5-bis(sulfooxy)oxan-2-yl]oxy}-6-methyl-3,5-bis(sulfooxy)oxan-2-yl)oxy]-6-methyl-5-(sulfooxy)oxan-2-yl)oxy]-6-methyl-3,5-bis(sulfooxy)oxan-2-yl}oxy)-6-methyl-3,5-bis(sulfooxy)oxan-2-yl]oxy}-6-hydroxy-2-methyl-5-(sulfooxy)oxan-3-yl)oxidanesulfonic acid

Formula:
C42H72O65S12

Smiles:
CC1OC(OC2C(OC3C(OS(=O)(=O)O)C(C)OC(OC4C(OS(=O)(=O)O)C(C)OC(OC5C(OS(=O)(=O)O)C(C)OC(O)C5OS(=O)(=O)O)C4OS(=O)(=O)O)C3OS(=O)(=O)O)OC(C)C(OS(=O)(=O)O)C2OC2OC(C)C(OS(=O)(=O)O)C(OC3OC(C)C(OS(=O)(=O)O)C(O)C3OS(=O)(=O)O)C2OS(=O)(=O)O)C(O)C(OS(=O)(=O)O)C1O

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=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

Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)C(C)OC(OC4C(O)C(C)OC(OC5C(O)C(C)OC(OC6C(O)C(C)OC(O)C6O)C5O)C4O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 65 RingCount: 7
HBD: 16 FractionCSP3: 1.0
AlogP: -11.16 Num_rotatable_bonds: 36
MolWt: 2001.78 Num_heavy_atoms: 119
TPSA: 964.11 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

Sugarmoiety
SD06775

CC1OC(OC2C(O)C(C)OC(OC3C(O)C(C)OC(OC4C(O)C(C)OC(OC5C(O)C(C)OC(OC6C(O)C(C)OC(O)C6O)C5O)C4O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O