Glycoside
GD139644
Name:
14-{[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-6,15-dihydroxy-12-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-5,7,8,11,13,15-hexamethyl-1,9-dioxaspiro[2.13]hexadecane-4,10-dioneFormula:
C35H61O13NSmiles:
COC1CC(OC2C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC(C)(O)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1OAglycone:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC2(C)O)O1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 703.87 | Num_heavy_atoms: | 49 |
| TPSA: | 186.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD56311
Formula: C28H49O10N
Smiles:
CC1CC(N(C)C)C(O)C(OC2C(C)C(O)C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC2(C)O)O1| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 559.7 | Num_heavy_atoms: | 39 |
| TPSA: | 158.52 | NumAromaticRings: | 0 |
