Glycoside
GD114558
Name:
7-{[4-(dimethylamino)-5-({4-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8,10,11-hexahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dioneFormula:
C40H53O16NSmiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(O)C(OC4CCC(O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=OAglycone:
CC1OC(O)CCC1O.CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 803.86 | Num_heavy_atoms: | 57 |
| TPSA: | 254.6 | 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 |
AD45133
Formula: C28H33O11N
Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1c(O)ccc(O)c1C3=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 559.57 | Num_heavy_atoms: | 40 |
| TPSA: | 197.45 | NumAromaticRings: | 2 |
