Glycoside
GD115421
Name:
NoneFormula:
C31H31O13Smiles:
COc1cc(C2=C(OC3OC(COC(=O)C=Cc4ccc([OH2+])cc4)C(O)C(O)C3O)C=C3C(O)=CC(O)=CC3O2)ccc1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 611.58 | Num_heavy_atoms: | 44 |
| TPSA: | 207.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
AD45656
Formula: C16H14O6
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3O2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
