Glycoside
...
GD130941

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

Formula:
C55H83O20N

Smiles:
CNc1ccccc1C(=O)OC1C(=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C

Aglycone:
CNc1ccccc1C(=O)OC1C(=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 12 FractionCSP3: 0.82
AlogP: 0.28 Num_rotatable_bonds: 12
MolWt: 1078.26 Num_heavy_atoms: 76
TPSA: 333.31 NumAromaticRings: 1

Unique Aglycone
AD53067
Formula: C38H55O6N

Smiles:
CNc1ccccc1C(=O)OC1C(=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.74
AlogP: 6.17 Num_rotatable_bonds: 4
MolWt: 621.86 Num_heavy_atoms: 45
TPSA: 116.09 NumAromaticRings: 1

Sugarmoiety
SD04884

OC1COC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O