Glycoside
GD118487
Name:
9-{[4-(dimethylamino)-5-{[4-hydroxy-4,6-dimethyl-5-(propanoyloxy)oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl propanoateFormula:
C41H67O15NSmiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2CC(N(C)C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C)O2)C1OCAglycone:
CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2CC(N(C)C)C(O)C(C)O2)C1OCSugarmoiety:
CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 12 |
| MolWt: | 813.98 | Num_heavy_atoms: | 57 |
| TPSA: | 198.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD47384
Formula: C31H51O11N
Smiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(OC2CC(N(C)C)C(O)C(C)O2)C1OC| HBA: | 12 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 613.75 | Num_heavy_atoms: | 43 |
| TPSA: | 153.59 | NumAromaticRings: | 0 |
