Glycoside
GD129559
Name:
6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C42H42O20Smiles:
CC1OC(OC2C(=O)c3c(cc(O)c(-c4c(O)cc5c(c4O)C(=O)C(OC4OC(C)C(O)C(O)C4O)C(c4ccc(O)cc4)O5)c3O)OC2c2ccc(O)cc2)C(O)C(O)C1OAglycone:
O=C1c2c(cc(O)c(-c3c(O)cc4c(c3O)C(=O)C(O)C(c3ccc(O)cc3)O4)c2O)OC(c2ccc(O)cc2)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 12 | FractionCSP3: | 0.38 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 866.78 | Num_heavy_atoms: | 62 |
| TPSA: | 332.28 | NumAromaticRings: | 4 |
Unique Aglycone
AD52485
Formula: C30H22O12
Smiles:
O=C1c2c(cc(O)c(-c3c(O)cc4c(c3O)C(=O)C(O)C(c3ccc(O)cc3)O4)c2O)OC(c2ccc(O)cc2)C1O| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.13 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 574.49 | Num_heavy_atoms: | 42 |
| TPSA: | 214.44 | NumAromaticRings: | 4 |
