Glycoside
GD123261
Name:
Mathemycin AFormula:
C71H132O24N2Smiles:
CC1=CC(C)C(O)C(C)=CC(OC2OC(CO)C(O)C(O)C2O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(OC2OC(C)C(O)C(N)C2O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C)C(O)CCC=CC(C)C1OAglycone:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C)C(O)CCC=CC(C)C1OSugarmoiety:
CC1OC(O)C(O)C(N)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 3 |
| HBD: | 22 | FractionCSP3: | 0.9 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 14 |
| MolWt: | 1397.83 | Num_heavy_atoms: | 97 |
| TPSA: | 479.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD13760
Formula: C59H111O16N
Smiles:
CC1=CC(C)C(O)C(C)=CC(O)C(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CC(O)C(C)C(C(C)CC(C)CCCCCCN)OC(=O)CCC(C)C(O)CCC=CC(C)C1O| HBA: | 17 | RingCount: | 1 |
| HBD: | 16 | FractionCSP3: | 0.88 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 1090.53 | Num_heavy_atoms: | 76 |
| TPSA: | 335.54 | NumAromaticRings: | 0 |
