Glycoside
...
GD154855

Name:
[5-({4-[(5-{[3-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)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-(5-ethyl-2-hydroxy-6-methyl-4-oxoheptan-2-yl)-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:
C64H106O32S

Smiles:
CCC(C(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(OC7OC(C)C(O)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)C

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

Sugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 10
HBD: 16 FractionCSP3: 0.95
AlogP: -3.19 Num_rotatable_bonds: 21
MolWt: 1419.59 Num_heavy_atoms: 97
TPSA: 494.88 NumAromaticRings: 0

Unique Aglycone
AD61469
Formula: C29H48O7S

Smiles:
CCC(C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)C
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 5.12 Num_rotatable_bonds: 8
MolWt: 540.76 Num_heavy_atoms: 37
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD00672

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O