Glycoside
GD135208
Name:
4-(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-oneFormula:
C34H42O21Smiles:
COC1=CC(=C2Oc3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3C=C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=CC1=OAglycone:
COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -5.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 786.69 | Num_heavy_atoms: | 55 |
| TPSA: | 333.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD46446
Formula: C16H12O6
Smiles:
COC1=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=CC1=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 1 |
