Glycoside
GD132855
Name:
{6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-5-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C42H46O23Smiles:
O=C1C=CC(=C2Oc3cc(O)cc(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)c3C=C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C1Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.43 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 12 |
| MolWt: | 918.81 | Num_heavy_atoms: | 65 |
| TPSA: | 370.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD49486
Formula: C15H10O5
Smiles:
O=C1C=CC(=C2Oc3cc(O)cc(O)c3C=C2O)C=C1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
