Glycoside
...
GD121045

Name:
10-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-4-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl acetate

Formula:
C48H78O18

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Aglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 0.4 Num_rotatable_bonds: 9
MolWt: 943.13 Num_heavy_atoms: 66
TPSA: 283.98 NumAromaticRings: 0

Unique Aglycone
AD23537
Formula: C32H52O5

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.91
AlogP: 5.65 Num_rotatable_bonds: 2
MolWt: 516.76 Num_heavy_atoms: 37
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD01924

OCC1OC(OC2COC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O