Glycoside
GD000752
Name:
NoneFormula:
C96H181O21N2PSmiles:
CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](OP(=O)(O)O)[C@H](OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H]1OAglycone:
CCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O.CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O.O=P(O)(O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.94 |
| AlogP: | 22.29 | Num_rotatable_bonds: | 84 |
| MolWt: | 1730.47 | Num_heavy_atoms: | 120 |
| TPSA: | 338.77 | 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 |
AD00799
Formula: C30H59O3N
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(N)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 9.18 | Num_rotatable_bonds: | 27 |
| MolWt: | 481.81 | Num_heavy_atoms: | 34 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
