Glycoside
GD125768
Name:
24-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-12,19,23,23,27-pentamethyl-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:
C41H55O10NSmiles:
CC12CC=CC34C5=CCC67C=CC(C(O)=NC13)C5(CCC4(C(=O)O)CC2)C6(C)CCC1C(C)(C)C(OC2OC(C(=O)O)C(O)C(O)C2O)CCC17CAglycone:
CC12CC=CC34C5=CCC67C=CC(C(O)=NC13)C5(CCC4(C(=O)O)CC2)C6(C)CCC1C(C)(C)C(O)CCC17CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 721.89 | Num_heavy_atoms: | 52 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
Unique Aglycone
AD50872
Formula: C35H47O4N
Smiles:
CC12CC=CC34C5=CCC67C=CC(C(O)=NC13)C5(CCC4(C(=O)O)CC2)C6(C)CCC1C(C)(C)C(O)CCC17C| HBA: | 5 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 7.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 545.76 | Num_heavy_atoms: | 40 |
| TPSA: | 90.12 | NumAromaticRings: | 0 |
