Glycoside
GD123558
Name:
7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-(dimethylamino)-6-methyloxan-2-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-8-ethyl-1,6,8,11-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C42H58O14N2Smiles:
CCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(N(C)C)C(OC4CC(O)C(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(N(C)C)C(O)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 814.93 | Num_heavy_atoms: | 58 |
| TPSA: | 217.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD49882
Formula: C36H48O11N2
Smiles:
CCC1(O)CCc2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(N(C)C)C(O)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 684.78 | Num_heavy_atoms: | 49 |
| TPSA: | 178.69 | NumAromaticRings: | 2 |
