Glycoside
...
GD151446

Name:
6-{[9-(acetyloxy)-10-{[2-(acetyloxy)-2-methylbutanoyl]oxy}-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-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:
C61H96O29

Smiles:
CCC(C)(OC(C)=O)C(=O)OC1C(OC(C)=O)C2(CO)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:
CCC(C)(OC(C)=O)C(=O)OC1C(OC(C)=O)C2(CO)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: 29 RingCount: 9
HBD: 14 FractionCSP3: 0.9
AlogP: -2.45 Num_rotatable_bonds: 17
MolWt: 1293.41 Num_heavy_atoms: 90
TPSA: 453.03 NumAromaticRings: 0

Unique Aglycone
AD53604
Formula: C39H62O10

Smiles:
CCC(C)(OC(C)=O)C(=O)OC1C(OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 4.88 Num_rotatable_bonds: 6
MolWt: 690.92 Num_heavy_atoms: 49
TPSA: 159.82 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