Glycoside
GD147811
Name:
2-hydroxy-1,5,12-trimethyl-5-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-10-oxatetracyclo[7.6.1.0²,â·.0¹²,¹â¶]hexadec-7-en-11-oneFormula:
C26H40O9Smiles:
CC1(CCOC2OC(CO)C(O)C(O)C2O)CCC2(O)C(=CC3OC(=O)C4(C)CCCC2(C)C34)C1Aglycone:
CC1(CCO)CCC2(O)C(=CC3OC(=O)C4(C)CCCC2(C)C34)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.6 | Num_heavy_atoms: | 35 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD59178
Formula: C20H30O4
Smiles:
CC1(CCO)CCC2(O)C(=CC3OC(=O)C4(C)CCCC2(C)C34)C1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.46 | Num_heavy_atoms: | 24 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
