Glycoside
GD122003
Name:
2-[7-(3,4-dihydroxyphenyl)-2,4-dihydroxy-5-oxo-5,8-dihydronaphthalen-1-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C31H28O12Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(c2c(O)cc(O)c3c2CC(c2ccc(O)c(O)c2)=CC3=O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=C1C=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.23 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.55 | Num_heavy_atoms: | 43 |
| TPSA: | 214.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD49139
Formula: C16H12O5
Smiles:
O=C1C=C(c2ccc(O)c(O)c2)Cc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
