Glycoside

GD010935
Name:
NoneFormula:
C50H99O12NSSmiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 13 | RingCount: | 1 |
HBD: | 7 | FractionCSP3: | 0.98 |
AlogP: | 10.31 | Num_rotatable_bonds: | 46 |
MolWt: | 938.4 | Num_heavy_atoms: | 64 |
TPSA: | 212.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)OHBA: | 4 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
MolWt: | 98.08 | Num_heavy_atoms: | 5 |
TPSA: | 74.6 | NumAromaticRings: | 0 |
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCHBA: | 5 | RingCount: | 0 |
HBD: | 4 | FractionCSP3: | 0.98 |
AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
MolWt: | 696.2 | Num_heavy_atoms: | 49 |
TPSA: | 89.79 | NumAromaticRings: | 0 |