Glycoside
...
GD140724

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-trihydroxy-6-(hydroxymethyl)oxan-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:
C56H87O20N

Smiles:
CNc1ccccc1C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OC(COC8OC(CO)C(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:
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 13 FractionCSP3: 0.84
AlogP: 0.46 Num_rotatable_bonds: 13
MolWt: 1094.3 Num_heavy_atoms: 77
TPSA: 336.47 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
SD00460

OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O