Glycoside
...
GD153515

Name:
6-({8a-[(acetyloxy)methyl]-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C49H76O19

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 10 FractionCSP3: 0.86
AlogP: 0.85 Num_rotatable_bonds: 11
MolWt: 969.13 Num_heavy_atoms: 68
TPSA: 308.89 NumAromaticRings: 0

Unique Aglycone
AD06347
Formula: C37H58O8

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 5.11 Num_rotatable_bonds: 5
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD01364

O=C(O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O