Glycoside
GD144665
Name:
2-[6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-10-[(4,5-dihydroxy-4-methyloxan-2-yl)oxy]-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehydeFormula:
C41H69O16NSmiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CC(C)(O)C(O)CO2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1OAglycone:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OSugarmoiety:
CC1(O)CC(O)OCC1O.CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 831.99 | Num_heavy_atoms: | 58 |
| TPSA: | 232.6 | 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 |
