Glycoside
GD003274
Name:
NoneFormula:
C69H133O16N2PSmiles:
CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1[C@H](OC[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)C(=O)O)O[C@H](CO)[C@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](CCCCCCCCCCC)OCCCCCC)OCCCCCCAglycone:
CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OCCCCCC.CCCCCCCCCCCC(CC(=O)O)OCCCCCC.CCCCCCCCCCCC(CC(N)=O)OCCCCCC.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 15.99 | Num_rotatable_bonds: | 64 |
| MolWt: | 1277.8 | Num_heavy_atoms: | 88 |
| TPSA: | 254.94 | 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 |
AD02983
Formula: C23H45O5N
Smiles:
CCCCCCCCCCCC(CC(=O)NC(CO)C(=O)O)OCCCCCC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 21 |
| MolWt: | 415.62 | Num_heavy_atoms: | 29 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
AD02984
Formula: C20H40O3
Smiles:
CCCCCCCCCCCC(CC(=O)O)OCCCCCC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 6.35 | Num_rotatable_bonds: | 18 |
| MolWt: | 328.54 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD02985
Formula: C20H41O2N
Smiles:
CCCCCCCCCCCC(CC(N)=O)OCCCCCC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 18 |
| MolWt: | 327.55 | Num_heavy_atoms: | 23 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
