Glycoside
...
GD154008

Name:
6-({8a-[(acetyloxy)methyl]-7,8,9-trihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-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-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C59H92O27

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(OC6OC(CO)C(O)C6O)C(OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 14 FractionCSP3: 0.88
AlogP: -2.22 Num_rotatable_bonds: 15
MolWt: 1233.36 Num_heavy_atoms: 86
TPSA: 426.73 NumAromaticRings: 0

Unique Aglycone
AD54781
Formula: C37H58O8

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 5.11 Num_rotatable_bonds: 4
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD02220

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C1O