Glycoside
...
GD147649

Name:
{3,4,5-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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-4a-yl}methyl 2-(methylamino)benzoate

Formula:
C55H85O20N

Smiles:
CNc1ccccc1C(=O)OCC12C(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)C1CC(C)(C)C(O)C2O

Aglycone:
CNc1ccccc1C(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O

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: 13 FractionCSP3: 0.84
AlogP: 0.07 Num_rotatable_bonds: 12
MolWt: 1080.27 Num_heavy_atoms: 76
TPSA: 336.47 NumAromaticRings: 1

Unique Aglycone
AD59122
Formula: C38H57O6N

Smiles:
CNc1ccccc1C(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C1CC(C)(C)C(O)C2O
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.76
AlogP: 5.96 Num_rotatable_bonds: 4
MolWt: 623.88 Num_heavy_atoms: 45
TPSA: 119.25 NumAromaticRings: 1

Sugarmoiety
SD04884

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