Glycoside
GD015377
Name:
NoneFormula:
C53H98O16N2Smiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC.COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.91 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 42 |
| MolWt: | 1019.36 | Num_heavy_atoms: | 71 |
| TPSA: | 294.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD04680
Formula: C12H21O9N
Smiles:
COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.3 | Num_heavy_atoms: | 22 |
| TPSA: | 165.78 | NumAromaticRings: | 0 |
AD06054
Formula: C36H71O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 10.34 | Num_rotatable_bonds: | 32 |
| MolWt: | 565.97 | Num_heavy_atoms: | 40 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
