Glycoside
GD142649
Name:
4-hydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-oneFormula:
C27H32O14Smiles:
O=C(C=Cc1ccc(O)cc1)C1=CC(O)(C2OC(CO)C(O)C(O)C2O)C=C(C2OC(CO)C(O)C(O)C2O)C1=OAglycone:
O=C(C=Cc1ccc(O)cc1)C1=CC(O)C=CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -4.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 254.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD57406
Formula: C15H12O4
Smiles:
O=C(C=Cc1ccc(O)cc1)C1=CC(O)C=CC1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
