Glycoside
...
GD114486

Name:
5-(acetyloxy)-10-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-14a-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-docosahydropicene-4a-carboxylic acid

Formula:
C49H80O21

Smiles:
CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(OC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC2(O)C2CC(C)(C)CC(OC3OC(CO)C(O)C(O)C3O)C12C(=O)O

Aglycone:
CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC2(O)C2CC(C)(C)CC(O)C12C(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -0.95 Num_rotatable_bonds: 10
MolWt: 1005.16 Num_heavy_atoms: 70
TPSA: 341.51 NumAromaticRings: 0

Unique Aglycone
AD45087
Formula: C32H52O7

Smiles:
CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC2(O)C2CC(C)(C)CC(O)C12C(=O)O
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.94
AlogP: 4.94 Num_rotatable_bonds: 2
MolWt: 548.76 Num_heavy_atoms: 39
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD02763

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O