Glycoside

GD014742
Name:
NoneFormula:
C47H78O16NClSmiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H](CCCl)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCCl)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
HBA: | 17 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.87 |
AlogP: | 2.87 | Num_rotatable_bonds: | 13 |
MolWt: | 936.57 | Num_heavy_atoms: | 64 |
TPSA: | 221.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD01591
Formula: C24H37O6Cl
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCCl)CC(C)C(=O)C=CC(C)=CC1COHBA: | 6 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.74 |
AlogP: | 3.02 | Num_rotatable_bonds: | 4 |
MolWt: | 445.0 | Num_heavy_atoms: | 30 |
TPSA: | 104.06 | NumAromaticRings: | 0 |