Glycoside
GD006254
Name:
7-hydroxy-7-(hydroxymethyl)-1-({3,4,5-trihydroxy-6-[(4-hydroxybenzoyloxy)methyl]oxan-2-yl}oxy)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxybenzoateFormula:
C29H32O14Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@](O)(CO)C[C@H]3OC(=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.O=C(OC1CC(O)(CO)C2C(O)OC=CC12)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 604.56 | Num_heavy_atoms: | 43 |
| TPSA: | 221.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD05190
Formula: C16H18O7
Smiles:
O=C(OC1CC(O)(CO)C2C(O)OC=CC12)c1ccc(O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.31 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
