Glycoside
...
GD143958

Name:
3-(acetyloxy)-10-[(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-hydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4-yl acetate

Formula:
C57H92O26

Smiles:
CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

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

Sugarmoiety:
OCC1OC(OC2C(CO)OC(OC3C(O)OC(COC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -2.87 Num_rotatable_bonds: 14
MolWt: 1193.34 Num_heavy_atoms: 83
TPSA: 409.66 NumAromaticRings: 0

Unique Aglycone
AD44938
Formula: C34H54O7

Smiles:
CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 5.2 Num_rotatable_bonds: 3
MolWt: 574.8 Num_heavy_atoms: 41
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD07742

OCC1OC(OC2C(CO)OC(OC3C(O)OC(COC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O