Glycoside
GD140809
Name:
Archazolid DFormula:
C48H72O13N2SSmiles:
CN=C(O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(OC3OC(CO)C(O)C(O)C3O)C(C)C=C(CO)C=C(C)C=CC(O)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(CO)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: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | 6.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 917.17 | Num_heavy_atoms: | 64 |
| TPSA: | 230.08 | NumAromaticRings: | 1 |
Unique Aglycone
AD56771
Formula: C42H62O8N2S
Smiles:
CN=C(O)OC(CC(C)C)c1nc(C2OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(CO)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC2C)cs1| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 8.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 755.03 | Num_heavy_atoms: | 53 |
| TPSA: | 150.93 | NumAromaticRings: | 1 |
