Glycoside
GD033378
Name:
NoneFormula:
C44H79O13N3Smiles:
CC[C@@H]1OC(=O)CC(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](CCNCCCN(C)C)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCCN(C)C)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 16 |
| MolWt: | 858.12 | Num_heavy_atoms: | 60 |
| TPSA: | 198.18 | NumAromaticRings: | 0 |
Unique Aglycone
AD21305
Formula: C28H50O6N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCNCCCN(C)C)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 510.72 | Num_heavy_atoms: | 36 |
| TPSA: | 119.33 | NumAromaticRings: | 0 |
