Glycoside
...
GD117714

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

Formula:
C54H84O22

Smiles:
CC(=O)OC1C(CO)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(CO)OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 10 FractionCSP3: 0.91
AlogP: 0.02 Num_rotatable_bonds: 11
MolWt: 1085.24 Num_heavy_atoms: 76
TPSA: 336.58 NumAromaticRings: 0

Unique Aglycone
AD03275
Formula: C30H46O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 2
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD05112

CC(=O)OC1C(CO)OC(O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OCC(O)C(O)C1O