Glycoside
GD117776
Name:
2-{[9-(3,4-dihydroxyphenyl)-2,3-dihydroxy-5-methyl-6,7-dihydro-5H-benzo[7]annulen-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H28O10Smiles:
CC1c2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)=CCC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1c2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)=CCC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 476.48 | Num_heavy_atoms: | 34 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD47004
Formula: C18H18O5
Smiles:
CC1c2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)=CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
