Glycoside
GD143380
Name:
2-(6-{[4-(dimethylamino)-5-[(5-ethoxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy]-3-hydroxy-6-methyloxan-2-yl]oxy}-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl)acetaldehydeFormula:
C37H63O13NSmiles:
CCOC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C3OC)C(O)C2N(C)C)CC1(C)OAglycone:
COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OSugarmoiety:
CCOC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 10 |
| MolWt: | 729.91 | Num_heavy_atoms: | 51 |
| TPSA: | 182.91 | 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 |
