Glycoside
GD137012
Name:
6-ethyl-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-11-({4-[(methylamino)methyl]phenyl}methoxy)-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C46H71O10NSmiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccc(CNC)cc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21CAglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccc(CNC)cc5)C(O)C(C)(CO)C4CCC3(C)C21CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 798.07 | Num_heavy_atoms: | 57 |
| TPSA: | 178.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD55371
Formula: C41H63O6N
Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccc(CNC)cc5)C(O)C(C)(CO)C4CCC3(C)C21C| HBA: | 7 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 665.96 | Num_heavy_atoms: | 48 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
