Glycoside
GD130522
Name:
2-(5,7-dihydroxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)phenyl 3,4,5-trihydroxybenzoateFormula:
C34H34O21Smiles:
CC1OC(c2c(O)c(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)c2-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(Oc1cc(O)c(O)cc1-c1oc2cc(O)cc(O)c2c(=O)c1O)c1cc(O)c(O)c(O)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.35 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 778.63 | Num_heavy_atoms: | 55 |
| TPSA: | 367.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD52892
Formula: C22H14O12
Smiles:
O=C(Oc1cc(O)c(O)cc1-c1oc2cc(O)cc(O)c2c(=O)c1O)c1cc(O)c(O)c(O)c1| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.0 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 3 |
| MolWt: | 470.34 | Num_heavy_atoms: | 34 |
| TPSA: | 218.35 | NumAromaticRings: | 4 |
