Glycoside
GD122508
Name:
6,9,16,18,25,26-hexahydroxy-5-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-10,17-dimethyl-4,12,21,22-tetraoxaheptacyclo[11.8.7.0¹,¹³.0²,¹¹.0³,â¸.0¹âµ,²â°.0²³,²â¸]octacosa-2,5,8,10,15(20),16,18,23,25,27-decaene-7,14-dioneFormula:
C38H30O19Smiles:
Cc1c(O)cc2c(c1O)C(=O)C13Oc4c(C)c(O)c5c(=O)c(O)c(-c6ccc(OC7OC(CO)C(O)C(O)C7O)c(O)c6)oc5c4C1(Oc1cc(O)c(O)cc13)O2Aglycone:
Cc1c(O)cc2c(c1O)C(=O)C13Oc4c(C)c(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c4C1(Oc1cc(O)c(O)cc13)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.26 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 790.64 | Num_heavy_atoms: | 57 |
| TPSA: | 315.96 | NumAromaticRings: | 5 |
Unique Aglycone
AD49376
Formula: C32H20O14
Smiles:
Cc1c(O)cc2c(c1O)C(=O)C13Oc4c(C)c(O)c5c(=O)c(O)c(-c6ccc(O)c(O)c6)oc5c4C1(Oc1cc(O)c(O)cc13)O2| HBA: | 14 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.12 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 628.5 | Num_heavy_atoms: | 46 |
| TPSA: | 236.81 | NumAromaticRings: | 5 |
