Glycoside
GD119678
Name:
5-hydroxy-6-(4-hydroxybutyl)-9,10-dioxo-8-[(1H-pyrrol-3-yl)methyl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C31H33O11NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)C3O)c(CCCCO)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(CCCCO)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 9 |
| MolWt: | 595.6 | Num_heavy_atoms: | 43 |
| TPSA: | 195.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD47994
Formula: C25H23O7N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(CCCCO)c(O)c1C2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.46 | Num_heavy_atoms: | 33 |
| TPSA: | 136.92 | NumAromaticRings: | 3 |
