Glycoside
...
GD117446

Name:
6-({5-carboxy-26-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-6-(methoxymethyl)-1,2,8,21,21-pentamethylheptacyclo[16.6.2.1⁸,¹².0²,¹³.0⁵,¹².0¹⁵,²⁵.0²²,²⁶]heptacosa-10,13-dien-20-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C49H71O10N

Smiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C(C)(CCC6(C(=O)O)C(COC)CC7(C)CC=CC56C7)C(C)(CCC1C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C3)C42

Aglycone:
CCc1c[nH]cc1CCC12C3CCC4C=C5C(C)(CCC6(C(=O)O)C(COC)CC7(C)CC=CC56C7)C(C)(CCC1C(C)(C)C(O)C3)C42

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 9
HBD: 6 FractionCSP3: 0.8
AlogP: 7.08 Num_rotatable_bonds: 10
MolWt: 834.1 Num_heavy_atoms: 60
TPSA: 178.77 NumAromaticRings: 1

Unique Aglycone
AD46825
Formula: C43H63O4N

Smiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C(C)(CCC6(C(=O)O)C(COC)CC7(C)CC=CC56C7)C(C)(CCC1C(C)(C)C(O)C3)C42
HBA: 5 RingCount: 8
HBD: 3 FractionCSP3: 0.79
AlogP: 9.17 Num_rotatable_bonds: 7
MolWt: 657.98 Num_heavy_atoms: 48
TPSA: 82.55 NumAromaticRings: 1

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O