Glycoside
GD129516
Name:
Archazolid EFormula:
C48H72O12N2SSmiles:
CN=C(O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(OC3OC(CO)C(O)C(O)C3O)C(C)C(OC)C(C)=CC=CC2C)cs1Aglycone:
CN=C(O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC2C)cs1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 901.17 | Num_heavy_atoms: | 63 |
| TPSA: | 209.85 | NumAromaticRings: | 1 |
Unique Aglycone
AD48023
Formula: C42H62O7N2S
Smiles:
CN=C(O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC2C)cs1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 9.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 739.03 | Num_heavy_atoms: | 52 |
| TPSA: | 130.7 | NumAromaticRings: | 1 |
