Glycoside
GD130866
Name:
5-hydroxy-9,10-dioxo-6-(3-phenylpropyl)-8-[(1H-pyrrol-3-yl)methyl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C36H35O10NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)C3O)c(CCCc3ccccc3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(CCCc3ccccc3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 641.67 | Num_heavy_atoms: | 47 |
| TPSA: | 175.61 | NumAromaticRings: | 4 |
Unique Aglycone
AD53030
Formula: C30H25O6N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(CCCc3ccccc3)c(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.53 | Num_heavy_atoms: | 37 |
| TPSA: | 116.69 | NumAromaticRings: | 4 |
