Glycoside
GD026556
Name:
NoneFormula:
C93H174O22NPSmiles:
CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)[C@H]2OC)[C@H]1NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.O=P(O)(O)OSugarmoiety:
COC1C(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 21.81 | Num_rotatable_bonds: | 81 |
| MolWt: | 1689.37 | Num_heavy_atoms: | 117 |
| TPSA: | 324.97 | 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 |
AD00506
Formula: C26H51O3N
Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 7.62 | Num_rotatable_bonds: | 23 |
| MolWt: | 425.7 | Num_heavy_atoms: | 30 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD00509
Formula: C28H54O4
Smiles:
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.99 | Num_rotatable_bonds: | 25 |
| MolWt: | 454.74 | Num_heavy_atoms: | 32 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD04906
Formula: C26H50O4
Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 8.21 | Num_rotatable_bonds: | 23 |
| MolWt: | 426.68 | Num_heavy_atoms: | 30 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
