Glycoside
GD134711
Name:
5-hydroxy-6-methyl-9,10-dioxo-8-[(1H-pyrrol-3-yl)methyl]-7-[(3,4,4,5-tetrahydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C28H27O11NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)(O)C3O)c(C)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 553.52 | Num_heavy_atoms: | 40 |
| TPSA: | 195.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD54489
Formula: C22H17O6N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C)c(O)c1C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 391.38 | Num_heavy_atoms: | 29 |
| TPSA: | 116.69 | NumAromaticRings: | 3 |
