Glycoside
GD007585
Name:
MIROSAMICINFormula:
C37H61O13NSmiles:
CC[C@@H]1OC(=O)C=C[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@H](C)C(=O)C=C[C@@H]2O[C@H]2[C@@]1(O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1(O)COSugarmoiety:
COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 727.89 | Num_heavy_atoms: | 51 |
| TPSA: | 175.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD06157
Formula: C29H47O9N
Smiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC2OC2C1(O)CO| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 553.69 | Num_heavy_atoms: | 39 |
| TPSA: | 138.29 | NumAromaticRings: | 0 |
