Glycoside
...
GD125181

Name:
5-hydroxy-4a-(hydroxymethyl)-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-4-yl 2-(methylamino)benzoate

Formula:
C55H85O19N

Smiles:
CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO

Aglycone:
CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 12 FractionCSP3: 0.84
AlogP: 1.1 Num_rotatable_bonds: 12
MolWt: 1064.27 Num_heavy_atoms: 75
TPSA: 316.24 NumAromaticRings: 1

Unique Aglycone
AD50617
Formula: C38H57O5N

Smiles:
CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 6 RingCount: 6
HBD: 4 FractionCSP3: 0.76
AlogP: 6.99 Num_rotatable_bonds: 4
MolWt: 607.88 Num_heavy_atoms: 44
TPSA: 99.02 NumAromaticRings: 1

Sugarmoiety
SD04884

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