Glycoside
GD003031
Name:
NoneFormula:
C35H32O9Smiles:
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1C2=CCOC(=O)C2=COC1O.O=CC(c1ccccc1)(c1ccccc1)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.63 | Num_heavy_atoms: | 44 |
| TPSA: | 131.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD02800
Formula: C20H16O
Smiles:
O=CC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.05 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 272.35 | Num_heavy_atoms: | 21 |
| TPSA: | 17.07 | NumAromaticRings: | 3 |
