Glycoside
...
GD131881

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

Formula:
C66H107O29N

Smiles:
CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OCC(O)C(O)C5O)C(O)CC34C)C2(C)C)OC(COC2OC(C)C(O)C(OC3OCC(O)C(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC(O)=NC1C(O)OC(COC2OC(C)C(O)C(OC3OCC(O)C(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 16 FractionCSP3: 0.94
AlogP: -2.07 Num_rotatable_bonds: 14
MolWt: 1378.56 Num_heavy_atoms: 96
TPSA: 463.87 NumAromaticRings: 0

Unique Aglycone
AD00309
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD07433

CC(O)=NC1C(O)OC(COC2OC(C)C(O)C(OC3OCC(O)C(OC4OC(C)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C1O.OC1COC(O)C(O)C1O