Glycoside
GD138986
Name:
2-{[9-hydroxy-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O13Smiles:
CC(C)=CCCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C)=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 783.01 | Num_heavy_atoms: | 55 |
| TPSA: | 218.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD56063
Formula: C30H50O3
Smiles:
CC(C)=CCCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 3 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
