Glycoside
GD129126
Name:
methyl 4-{[4-(dimethylamino)-5-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)oxan-2-yl]oxy}-2-ethyl-2,7-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateFormula:
C41H53O14NSmiles:
CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(O)C(C)O4)C(C)O3)CO2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(OC2CC(N(C)C)C(O)CO2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 783.87 | Num_heavy_atoms: | 56 |
| TPSA: | 199.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00171
Formula: C6H12O3
Smiles:
CC1OC(O)CCC1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.16 | Num_heavy_atoms: | 9 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
AD52303
Formula: C29H33O9N
Smiles:
CCC1(O)CC(OC2CC(N(C)C)C(O)CO2)c2cc3c(cc2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 539.58 | Num_heavy_atoms: | 39 |
| TPSA: | 142.83 | NumAromaticRings: | 2 |
