Glycoside
GD117945
Name:
10-hydroxy-7-methoxy-3-methyl-9-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H,3H,4H-naphtho[2,3-c]pyran-1-oneFormula:
C27H34O15Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(O)c3c(cc2c1)CC(C)OC3=OAglycone:
COc1cc(O)c2c(O)c3c(cc2c1)CC(C)OC3=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.55 | Num_heavy_atoms: | 42 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD47100
Formula: C15H14O5
Smiles:
COc1cc(O)c2c(O)c3c(cc2c1)CC(C)OC3=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
