Glycoside
GD120620
Name:
9-{[4-(dimethylamino)-3-hydroxy-5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}-3-ethyl-7-hydroxy-10-(2-hydroxyethyl)-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dioneFormula:
C37H63O12NSmiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CCC(O)C(C)O3)C(N(C)C)C2O)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1CAglycone:
CC1OC(O)CCC1O.CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 713.91 | Num_heavy_atoms: | 50 |
| TPSA: | 176.98 | NumAromaticRings: | 0 |
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 |
AD48481
Formula: C23H38O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCO)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.55 | Num_heavy_atoms: | 30 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
