Glycoside
GD151920
Name:
5-hydroxy-9,10-dioxo-6-(piperidin-4-yl)-8-[(1H-pyrrol-3-yl)methyl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracen-2-yl acetateFormula:
C32H34O10N2Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)C3O)c(C3CCNCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C3CCNCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 606.63 | Num_heavy_atoms: | 44 |
| TPSA: | 187.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD60539
Formula: C26H24O6N2
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C3CCNCC3)c(O)c1C2=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.49 | Num_heavy_atoms: | 34 |
| TPSA: | 128.72 | NumAromaticRings: | 3 |
