Glycoside
GD029281
Name:
NoneFormula:
C81H155O17N2PSmiles:
CCCCCCCCCCC[C@@H](CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](OC[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)C(=O)O)O[C@H](CO)[C@@H]1OP(=O)(O)O)OCCCCCCCCCCAglycone:
CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OCCCCCCCCCC.CCCCCCCCCCCC(CC(=O)O)OCCCCCCCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 20.2 | Num_rotatable_bonds: | 75 |
| MolWt: | 1460.1 | Num_heavy_atoms: | 101 |
| TPSA: | 272.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD01214
Formula: C24H47O3N
Smiles:
CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 6.84 | Num_rotatable_bonds: | 21 |
| MolWt: | 397.64 | Num_heavy_atoms: | 28 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD10322
Formula: C27H53O5N
Smiles:
CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OCCCCCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 25 |
| MolWt: | 471.72 | Num_heavy_atoms: | 33 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
AD10323
Formula: C24H48O3
Smiles:
CCCCCCCCCCCC(CC(=O)O)OCCCCCCCCCC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.96 |
| AlogP: | 7.91 | Num_rotatable_bonds: | 22 |
| MolWt: | 384.65 | Num_heavy_atoms: | 27 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
