Glycoside
GD150075
Name:
2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-11-({4-[(methylamino)methyl]phenyl}methoxy)-12-[(5-oxopyrrolidin-3-yl)methyl]-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:
C49H74O11N2Smiles:
CNCc1ccc(COC2C(OC3OCC(O)C(O)C3O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CCC54C)C3(C)C2CC2CN=C(O)C2)cc1Aglycone:
CNCc1ccc(COC2C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CCC54C)C3(C)C2CC2CN=C(O)C2)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 867.13 | Num_heavy_atoms: | 62 |
| TPSA: | 210.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD59970
Formula: C44H66O7N2
Smiles:
CNCc1ccc(COC2C(O)C(C)(CO)C3CCC4(C)C(CC=C5C6CC(C)(CO)CCC6(C(=O)O)CCC54C)C3(C)C2CC2CN=C(O)C2)cc1| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 6.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 735.02 | Num_heavy_atoms: | 53 |
| TPSA: | 151.84 | NumAromaticRings: | 1 |
