Glycoside
GD141151
Name:
9-({4,5-dihydroxy-6-[(6-hydroxy-3,4,5-trimethyloxan-2-yl)methoxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-10-hydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-oneFormula:
C30H38O12Smiles:
COc1cc(OC2C(CO)OC(OCC3OC(O)C(C)C(C)C3C)C(O)C2O)c2c(O)c3c(=O)oc(C)cc3cc2c1Aglycone:
CC1C(O)OC(CO)C(C)C1C.COc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 590.62 | Num_heavy_atoms: | 42 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD19122
Formula: C15H12O5
Smiles:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
AD53955
Formula: C9H18O3
Smiles:
CC1C(O)OC(CO)C(C)C1C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.24 | Num_heavy_atoms: | 12 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
