Glycoside
GD148339
Name:
(6-{2,3-dihydroxy-4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C23H24O11Smiles:
CC(=O)OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2O)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13415
Formula: C15H12O5
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
