Glycoside
GD038062
Name:
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4h-chromen-3-yl 6-deoxy-2-o-{6-o-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-d-glucopyranosyl}-alpha-l-mannopyranosideFormula:
C36H36O20Smiles:
C[C@H]1O[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O[C@H]2O[C@H](COC(=O)C=Cc3ccc(O)c(O)c3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 788.66 | Num_heavy_atoms: | 56 |
| TPSA: | 336.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD01074
Formula: C15H10O8
Smiles:
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 151.59 | NumAromaticRings: | 3 |
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 |
