Glycoside
...
GD114444

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

Formula:
C61H94O28

Smiles:
CCCC=CC(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2CC1(C)C

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

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 14 FractionCSP3: 0.87
AlogP: -2.26 Num_rotatable_bonds: 18
MolWt: 1275.4 Num_heavy_atoms: 89
TPSA: 443.8 NumAromaticRings: 0

Unique Aglycone
AD45060
Formula: C38H58O8

Smiles:
CCCC=CC(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.82
AlogP: 5.71 Num_rotatable_bonds: 7
MolWt: 642.87 Num_heavy_atoms: 46
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD01354

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O