Glycoside
GD150529
Name:
{[6-({2-[4-(11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-(prop-1-en-1-yl)oxan-4-yl}oxy)-3-hydroxy-2-methyloxan-4-yl]oxy}methanimidic acidFormula:
C46H75O14NSmiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(OC2CC(OC(=N)O)C(O)C(C)O2)C1CAglycone:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1CSugarmoiety:
CC1OC(O)CC(OC(=N)O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 866.1 | Num_heavy_atoms: | 61 |
| TPSA: | 226.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD03017
Formula: C39H64O10
Smiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 692.93 | Num_heavy_atoms: | 49 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
