Glycoside
GD013296
Name:
MITEMCINALFormula:
C40H69O12NSmiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OCAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(=O)C1(C)OCSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 755.99 | Num_heavy_atoms: | 53 |
| TPSA: | 151.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD05854
Formula: C32H55O9N
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(=O)C1(C)OC| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 597.79 | Num_heavy_atoms: | 42 |
| TPSA: | 123.99 | NumAromaticRings: | 0 |
