Glycoside
GD115737
Name:
4-(5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-ylidene)-2,6-dimethoxycyclohexa-2,5-dien-1-oneFormula:
C23H24O12Smiles:
COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2OC2OC(CO)C(O)C(O)C2O)C=C(OC)C1=OAglycone:
COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C(OC)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD45842
Formula: C17H14O7
Smiles:
COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C(OC)C1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
