Glycoside
GD144008
Name:
1-{[5-(dimethylamino)-3,4-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-10-hydroxy-4-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-7-methoxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl acetateFormula:
C39H51O15NSmiles:
COc1ccc(O)c2c1C(=O)c1cc3c(cc1C2=O)C(OC1OC(C)C(N(C)C)C(C)(O)C1O)C(C)(OC(C)=O)CC3OC1OC(C)C(OC)C(O)C1OCAglycone:
COc1ccc(O)c2c1C(=O)c1cc3c(cc1C2=O)C(O)C(C)(OC(C)=O)CC3OSugarmoiety:
CC1OC(O)C(O)C(C)(O)C1N(C)C.COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 773.83 | Num_heavy_atoms: | 55 |
| TPSA: | 209.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD57895
Formula: C22H20O8
Smiles:
COc1ccc(O)c2c1C(=O)c1cc3c(cc1C2=O)C(O)C(C)(OC(C)=O)CC3O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 412.39 | Num_heavy_atoms: | 30 |
| TPSA: | 130.36 | NumAromaticRings: | 2 |
