Glycoside
GD133894
Name:
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triolFormula:
C36H36O16Smiles:
CC1OC(OC2C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C2c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1OAglycone:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.33 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 724.67 | Num_heavy_atoms: | 52 |
| TPSA: | 279.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD45065
Formula: C30H26O12
Smiles:
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2| HBA: | 12 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.2 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 578.53 | Num_heavy_atoms: | 42 |
| TPSA: | 220.76 | NumAromaticRings: | 4 |
