Glycoside
GD147187
Name:
3-hydroxy-1-(hydroxymethyl)-8-(methoxycarbonyl)-1,4a,8,11a,11b-pentamethyl-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,4H,4aH,4bH,5H,6bH,7H,8H,9H,10H,10aH,11H,11aH,11bH,12H,13H,13aH-indeno[2,1-a]phenanthrene-10a-carboxylic acidFormula:
C35H54O11Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 650.81 | Num_heavy_atoms: | 46 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD58958
Formula: C30H46O7
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 518.69 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
