Glycoside
GD115271
Name:
NoneFormula:
C38H49O22Smiles:
C=C(O)CC(=C)OCC1OC(OC2=CC3OC(c4ccc(OC5OC(C[OH2+])C(O)C(O)C5O)c(O)c4)=C(O)C=C3C(O)=C2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
C=C(O)CC(=C)OC.OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.53 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 14 |
| MolWt: | 857.79 | Num_heavy_atoms: | 60 |
| TPSA: | 359.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD44954
Formula: C15H12O6
Smiles:
OC1=CC2OC(c3ccc(O)c(O)c3)=C(O)C=C2C(O)=C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 1 |
AD45563
Formula: C6H10O2
Smiles:
C=C(O)CC(=C)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 114.14 | Num_heavy_atoms: | 8 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
