Glycoside
GD011792
Name:
NoneFormula:
C34H67O13NP2Smiles:
CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](OP(=O)(O)O)[C@H]1OC(=O)CCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(N)=O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 31 |
| MolWt: | 759.85 | Num_heavy_atoms: | 50 |
| TPSA: | 218.38 | 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 |
AD05231
Formula: C14H28O2
Smiles:
CCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 228.38 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD08965
Formula: C14H29ON
Smiles:
CCCCCCCCCCCCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 227.39 | Num_heavy_atoms: | 16 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
