Glycoside
GD130551
Name:
6-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-7,16-diethyl-4-hydroxy-5,9,13-trimethyl-15-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-1-oxacyclohexadeca-11,13-diene-2,10-dioneFormula:
C37H63O12NSmiles:
CCC1CC(C)C(=O)C=CC(C)=CC(COC2OC(C)C(O)C(O)C2O)C(CC)OC(=O)CC(O)C(C)C1OC1OC(C)CC(N(C)C)C1OAglycone:
CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 713.91 | Num_heavy_atoms: | 50 |
| TPSA: | 184.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD52905
Formula: C31H53O8N
Smiles:
CCC1CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C1OC1OC(C)CC(N(C)C)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 567.76 | Num_heavy_atoms: | 40 |
| TPSA: | 125.76 | NumAromaticRings: | 0 |
