Glycoside
GD003181
Name:
NoneFormula:
C33H60O8N2Smiles:
CCCCCCCCCCCCCC(=O)O[C@@H]1CCC(NC(=O)[C@H](OC)[C@H](O)[C@H](O)[C@H](O)C=CC(C)(C)C)C(=O)N(C)C1Aglycone:
C=CC(C)(C)C.CCCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 20 |
| MolWt: | 612.85 | Num_heavy_atoms: | 43 |
| TPSA: | 145.63 | NumAromaticRings: | 0 |
Unique Aglycone
AD00410
Formula: C6H12
Smiles:
C=CC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD02911
Formula: C21H40O3N2
Smiles:
CCCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 368.56 | Num_heavy_atoms: | 26 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
