Glycoside
...
GD157992

Name:
{5-[(4-{[5-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-1-{1-hydroxy-1-[3-(2-methylpropyl)oxiran-2-yl]ethyl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxidanesulfonic acid

Formula:
C56H92O27S

Smiles:
CC(C)CC1OC1C(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Aglycone:
CC(C)CC1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 13 FractionCSP3: 0.96
AlogP: -1.84 Num_rotatable_bonds: 16
MolWt: 1229.39 Num_heavy_atoms: 84
TPSA: 411.19 NumAromaticRings: 0

Unique Aglycone
AD14715
Formula: C27H44O7S

Smiles:
CC(C)CC1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 4.29 Num_rotatable_bonds: 6
MolWt: 512.71 Num_heavy_atoms: 35
TPSA: 116.59 NumAromaticRings: 0

Sugarmoiety
SD00730

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O