Glycoside
...
GD128274

Name:
6-({8a-[(acetyloxy)methyl]-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(2-methylbutanoyl)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)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C43H68O14

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

Aglycone:
CCC(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(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.88
AlogP: 3.11 Num_rotatable_bonds: 9
MolWt: 809.0 Num_heavy_atoms: 57
TPSA: 229.74 NumAromaticRings: 0

Unique Aglycone
AD51962
Formula: C37H60O8

Smiles:
CCC(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: 0.89
AlogP: 5.19 Num_rotatable_bonds: 6
MolWt: 632.88 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O