Glycoside
...
GD114349

Name:
10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl}oxy)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(3-phenylprop-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C57H83O19N

Smiles:
CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)C=Cc6ccccc6)CC5(C(=O)O)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 10 FractionCSP3: 0.77
AlogP: 3.17 Num_rotatable_bonds: 12
MolWt: 1086.28 Num_heavy_atoms: 77
TPSA: 313.41 NumAromaticRings: 1

Unique Aglycone
AD06809
Formula: C39H54O6

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(C(=O)O)CC1OC(=O)C=Cc1ccccc1
HBA: 6 RingCount: 6
HBD: 3 FractionCSP3: 0.69
AlogP: 7.44 Num_rotatable_bonds: 4
MolWt: 618.86 Num_heavy_atoms: 45
TPSA: 104.06 NumAromaticRings: 1

Sugarmoiety
SD04349

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O