Glycoside
GD139278
Name:
({5-hydroxy-4-[(3-hydroxy-13-methyltetradecanoyl)oxy]-3-(3-hydroxy-15-methylhexadecanamido)-6-(hydroxymethyl)oxan-2-yl}oxy)phosphonic acidFormula:
C38H74O12NPSmiles:
CC(C)CCCCCCCCCCCC(O)CC(O)=NC1C(OP(=O)(O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCC(C)CAglycone:
CC(C)CCCCCCCCCC(O)CC(=O)O.CC(C)CCCCCCCCCCCC(O)CC(=N)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.95 |
| AlogP: | 7.03 | Num_rotatable_bonds: | 31 |
| MolWt: | 767.98 | Num_heavy_atoms: | 52 |
| TPSA: | 215.8 | 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 |
AD56163
Formula: C15H30O3
Smiles:
CC(C)CCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 12 |
| MolWt: | 258.4 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD56164
Formula: C17H35O2N
Smiles:
CC(C)CCCCCCCCCCCC(O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 285.47 | Num_heavy_atoms: | 20 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
