Glycoside
GD017442
Name:
NoneFormula:
C40H77O10NSSmiles:
CCCCCCCCCCCCCC=C[C@H](O)[C@H](COC1CC(OS(=O)(=O)O)C(O)C(CO)O1)NC(=O)CCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCC.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 8.24 | Num_rotatable_bonds: | 35 |
| MolWt: | 764.12 | Num_heavy_atoms: | 52 |
| TPSA: | 171.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 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 |
AD00070
Formula: C34H67O3N
Smiles:
CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 9.56 | Num_rotatable_bonds: | 30 |
| MolWt: | 537.91 | Num_heavy_atoms: | 38 |
| TPSA: | 69.56 | NumAromaticRings: | 0 |
