Glycoside
...
GD133921

Name:
2-acetyl-10-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C48H76O18

Smiles:
CC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.92
AlogP: 0.91 Num_rotatable_bonds: 10
MolWt: 941.12 Num_heavy_atoms: 66
TPSA: 291.82 NumAromaticRings: 0

Unique Aglycone
AD54176
Formula: C31H48O5

Smiles:
CC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.78 Num_rotatable_bonds: 3
MolWt: 500.72 Num_heavy_atoms: 36
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD05646

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