Glycoside
GD021528
Name:
TIMICOSINFormula:
C45H78O13N2Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 11 |
| MolWt: | 855.12 | Num_heavy_atoms: | 60 |
| TPSA: | 186.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD14709
Formula: C29H49O6N
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)C=CC(C)=CC1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 507.71 | Num_heavy_atoms: | 36 |
| TPSA: | 107.3 | NumAromaticRings: | 0 |
