Glycoside
GD140262
Name:
6-[(6-{[4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl)oxy]-2,4,4-trimethyloxan-3-yl 3-methylbutanoateFormula:
C41H69O13NSmiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(C)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1OAglycone:
CC(C)CC(=O)OC1C(C)OC(O)CC1(C)C.COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 784.0 | Num_heavy_atoms: | 55 |
| TPSA: | 179.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD02434
Formula: C20H32O7
Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 384.47 | Num_heavy_atoms: | 27 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD56560
Formula: C13H24O4
Smiles:
CC(C)CC(=O)OC1C(C)OC(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.33 | Num_heavy_atoms: | 17 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
