Glycoside
GD152435
Name:
24-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-27-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-12,19,23,23-tetramethyl-5-oxo-6-azaoctacyclo[16.9.3.0¹,¹â¹.0â´,¹â¸.0â·,¹².0â¸,¹âµ.0â¸,³â°.0²²,²â·]triaconta-2,9,29-triene-15-carboxylic acidFormula:
C48H64O10N2Smiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C34CCC5(C(=O)O)CCC6(C)CC=CC57C3=CCC21C=CC4C(O)=NC67Aglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C34CCC5(C(=O)O)CCC6(C)CC=CC57C3=CCC21C=CC4C(O)=NC67Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 6.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 829.04 | Num_heavy_atoms: | 60 |
| TPSA: | 202.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD60694
Formula: C42H56O4N2
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C34CCC5(C(=O)O)CCC6(C)CC=CC57C3=CCC21C=CC4C(O)=NC67| HBA: | 6 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 8.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 652.92 | Num_heavy_atoms: | 48 |
| TPSA: | 105.91 | NumAromaticRings: | 1 |
