Glycoside
GD126414
Name:
6-cyclohexyl-5-hydroxy-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:
C33H35O10NSmiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(OC3OC(C)C(O)C(O)C3O)c(C3CCCCC3)c(O)c1C2=OAglycone:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C3CCCCC3)c(O)c1C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 605.64 | Num_heavy_atoms: | 44 |
| TPSA: | 175.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD51149
Formula: C27H25O6N
Smiles:
CC(=O)Oc1ccc2c(c1)C(=O)c1c(Cc3cc[nH]c3)c(O)c(C3CCCCC3)c(O)c1C2=O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 459.5 | Num_heavy_atoms: | 34 |
| TPSA: | 116.69 | NumAromaticRings: | 3 |
