Glycoside
GD117775
Name:
6-(butan-2-yl)-9'-hydroxy-15'-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-7'-methoxy-5,6',10',14',16'-pentamethyl-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.0â´,â¹]tricosane]-5',10',12',16'-tetraen-3'-oneFormula:
C42H64O10Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(O)C(C)O3)C(C)C=CC=C(C)C3(O)CC(OC)C(C)=CC3C(=O)O1)O2Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C(C)C3(O)CC(OC)C(C)=CC3C(=O)O1)O2Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 6.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 728.96 | Num_heavy_atoms: | 52 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD47003
Formula: C35H52O7
Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C(C)C3(O)CC(OC)C(C)=CC3C(=O)O1)O2| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 5.97 | Num_rotatable_bonds: | 3 |
| MolWt: | 584.79 | Num_heavy_atoms: | 42 |
| TPSA: | 94.45 | NumAromaticRings: | 0 |
