Glycoside
GD129765
Name:
24-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-27-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-14-(methoxymethyl)-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:
C50H68O11N2Smiles:
CCc1c[nH]cc1CCC12CCC(OC3OC(C(=O)O)C(O)C(O)C3O)C(C)(C)C1CCC1(C)C34CCC5(C(=O)O)C(COC)CC6(C)CC=CC57C3=CCC21C=CC4C(O)=NC67Aglycone:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C34CCC5(C(=O)O)C(COC)CC6(C)CC=CC57C3=CCC21C=CC4C(O)=NC67Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 873.1 | Num_heavy_atoms: | 63 |
| TPSA: | 211.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD52570
Formula: C44H60O5N2
Smiles:
CCc1c[nH]cc1CCC12CCC(O)C(C)(C)C1CCC1(C)C34CCC5(C(=O)O)C(COC)CC6(C)CC=CC57C3=CCC21C=CC4C(O)=NC67| HBA: | 7 | RingCount: | 9 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 8.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 696.97 | Num_heavy_atoms: | 51 |
| TPSA: | 115.14 | NumAromaticRings: | 1 |
