Glycoside
GD141605
Name:
2-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-7-hydroxy-3a,3b,6,9a-tetramethyl-1-(6-methylhepta-1,5-dien-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylic acidFormula:
C35H56O8Smiles:
C=C(CCC=C(C)C)C1C(OC2OC(CO)C(O)C2O)CC2(C)C1CCC1C3(C)CCC(O)C(C)(C(=O)O)C3CCC12CAglycone:
C=C(CCC=C(C)C)C1C(O)CC2(C)C1CCC1C3(C)CCC(O)C(C)(C(=O)O)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 604.83 | Num_heavy_atoms: | 43 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57035
Formula: C30H48O4
Smiles:
C=C(CCC=C(C)C)C1C(O)CC2(C)C1CCC1C3(C)CCC(O)C(C)(C(=O)O)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 6.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
