Glycoside
GD131950
Name:
6-(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-14,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-15-yl)-2-methylheptan-3-oneFormula:
C42H70O13Smiles:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35C(O)CC12CAglycone:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD45523
Formula: C30H50O4
Smiles:
CC(C)C(=O)CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.73 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
