Glycoside
GD118391
Name:
10-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-6-({5-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl}oxy)-4-hydroxy-7-(2-hydroxyethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-oneFormula:
C42H73O16NSmiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CC(C)(O)C(O)C(C)O2)C(C)CC(CCO)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(CCO)C1OSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1.CC1OC(O)CC(C)(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 848.04 | Num_heavy_atoms: | 59 |
| TPSA: | 235.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD47331
Formula: C20H34O7
Smiles:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CCO)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 386.49 | Num_heavy_atoms: | 27 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
