Glycoside
GD004097
Name:
NoneFormula:
C53H100O13N2Smiles:
CCCCCCCCCCCC(O)CC(=O)NC1C(OCCCN(CC(=O)O)C(=O)CC(O)CCCCCCCCCCC)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCCAglycone:
CCCCCCCCCCCC(O)CC(=O)N(CCCO)CC(=O)O.CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 8.8 | Num_rotatable_bonds: | 46 |
| MolWt: | 973.38 | Num_heavy_atoms: | 68 |
| TPSA: | 232.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD00507
Formula: C14H28O3
Smiles:
CCCCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 12 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD00508
Formula: C14H29O2N
Smiles:
CCCCCCCCCCCC(O)CC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 243.39 | Num_heavy_atoms: | 17 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD03630
Formula: C19H37O5N
Smiles:
CCCCCCCCCCCC(O)CC(=O)N(CCCO)CC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 17 |
| MolWt: | 359.51 | Num_heavy_atoms: | 25 |
| TPSA: | 98.07 | NumAromaticRings: | 0 |
