Glycoside
GD028573
Name:
NoneFormula:
C62H65O12NSSmiles:
CCOS(=O)(=O)C=Cc1ccc(CNC(=O)C2=CO[C@H](O[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@@H]3C(COCc4ccccc4)=CC[C@H]23)cc1Aglycone:
CCOS(=O)(=O)C=Cc1ccc(CNC(=O)C2=COC(O)C3C(COCc4ccccc4)=CCC23)cc1.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 10.37 | Num_rotatable_bonds: | 26 |
| MolWt: | 1048.26 | Num_heavy_atoms: | 76 |
| TPSA: | 146.31 | NumAromaticRings: | 6 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD18655
Formula: C28H31O7NS
Smiles:
CCOS(=O)(=O)C=Cc1ccc(CNC(=O)C2=COC(O)C3C(COCc4ccccc4)=CCC23)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 525.62 | Num_heavy_atoms: | 37 |
| TPSA: | 111.16 | NumAromaticRings: | 2 |
