Glycoside
GD157039
Name:
8,17-bis(hydroxymethyl)-13-(3-hydroxypropyl)-1,2,8,15,17-pentamethyl-19-({4-[(methylamino)methyl]phenyl}methoxy)-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[12.10.0.0²,¹¹.0âµ,¹â°.0¹âµ,²â°.0¹â¶,²³]tetracosa-11,21-diene-5-carboxylic acidFormula:
C49H73O11NSmiles:
CNCc1ccc(COC2C(OC3OCC(O)C(O)C3O)C(C)(CO)C3C4C=CC2C3(C)C2C(CCCO)C=C3C5CC(C)(CO)CCC5(C(=O)O)CCC3(C)C2(C)C4)cc1Aglycone:
CNCc1ccc(COC2C(O)C(C)(CO)C3C4C=CC2C3(C)C2C(CCCO)C=C3C5CC(C)(CO)CCC5(C(=O)O)CCC3(C)C2(C)C4)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 13 |
| MolWt: | 852.12 | Num_heavy_atoms: | 61 |
| TPSA: | 198.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD62125
Formula: C44H65O7N
Smiles:
CNCc1ccc(COC2C(O)C(C)(CO)C3C4C=CC2C3(C)C2C(CCCO)C=C3C5CC(C)(CO)CCC5(C(=O)O)CCC3(C)C2(C)C4)cc1| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 11 |
| MolWt: | 720.0 | Num_heavy_atoms: | 52 |
| TPSA: | 139.48 | NumAromaticRings: | 1 |
