Glycoside
GD150396
Name:
10-methoxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6a-dihydro-1,6,7,13-tetraoxapentacen-2-oneFormula:
C25H22O12Smiles:
COc1cc2c(cc1OC1OC(CO)C(O)C(O)C1O)OC1Oc3cc4ccc(=O)oc4cc3OC1=C2Aglycone:
COc1cc2c(cc1O)OC1Oc3cc4ccc(=O)oc4cc3OC1=C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 514.44 | Num_heavy_atoms: | 37 |
| TPSA: | 166.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD60079
Formula: C19H12O7
Smiles:
COc1cc2c(cc1O)OC1Oc3cc4ccc(=O)oc4cc3OC1=C2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.3 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
