Glycoside
GD148537
Name:
hirsutinFormula:
C30H39O17Smiles:
COc1cc2c(c(OC3OC(C[OH2+])C(O)C(O)C3O)c1)C=C(OC1OC(CO)C(O)C(O)C1O)C(c1cc(OC)c(O)c(OC)c1)O2Aglycone:
COc1cc(O)c2c(c1)OC(c1cc(OC)c(O)c(OC)c1)C(O)=C2Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.53 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 671.63 | Num_heavy_atoms: | 47 |
| TPSA: | 258.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD59438
Formula: C18H18O7
Smiles:
COc1cc(O)c2c(c1)OC(c1cc(OC)c(O)c(OC)c1)C(O)=C2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.34 | Num_heavy_atoms: | 25 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
