Glycoside
GD117590
Name:
14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-17-oneFormula:
C35H56O9Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CC(=O)C23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(=O)C23C)O1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46903
Formula: C30H48O5
Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CC(=O)C23C)O1| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
