Glycoside
GD143924
Name:
Mollemycin AFormula:
C59H96O24N8Smiles:
CCC1OC(O)(C(C)(O)C(O)=NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(=O)N3NCC(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)=CC3C(=O)N3CCC(C)(O)C3C(=O)N(O)C(CC)C(=O)OC2C(C)C)CCC1C(=O)C(C)(O)CCAglycone:
CCC1OC(O)(C(C)(O)C(O)=NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(=O)N3NCC(O)=CC3C(=O)N3CCC(C)(O)C3C(=O)N(O)C(CC)C(=O)OC2C(C)C)CCC1C(=O)C(C)(O)CCSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 17 |
| MolWt: | 1301.45 | Num_heavy_atoms: | 91 |
| TPSA: | 417.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD57867
Formula: C45H72O18N8
Smiles:
CCC1OC(O)(C(C)(O)C(O)=NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(=O)N3NCC(O)=CC3C(=O)N3CCC(C)(O)C3C(=O)N(O)C(CC)C(=O)OC2C(C)C)CCC1C(=O)C(C)(O)CC| HBA: | 26 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.78 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 11 |
| MolWt: | 1013.11 | Num_heavy_atoms: | 71 |
| TPSA: | 361.64 | NumAromaticRings: | 0 |
