Glycoside
GD128308
Name:
5-hydroxy-9,10-dioxo-1-(2-phenylethenyl)-6-(3-phenylpropyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C39H36O10Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(OC3OC(C)C(O)C(O)C3O)c(CCCc3ccccc3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(CCCc3ccccc3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.71 | Num_heavy_atoms: | 49 |
| TPSA: | 159.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD51976
Formula: C33H26O6
Smiles:
CC(=O)Oc1ccc2c(c1C=Cc1ccccc1)C(=O)c1cc(O)c(CCCc3ccccc3)c(O)c1C2=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 6.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.57 | Num_heavy_atoms: | 39 |
| TPSA: | 100.9 | NumAromaticRings: | 4 |
