Glycoside
GD148202
Name:
15-(5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl)-13,18-dihydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-10-en-14-oneFormula:
C35H54O11Smiles:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12CAglycone:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 650.81 | Num_heavy_atoms: | 46 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD59314
Formula: C30H46O7
Smiles:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
