Glycoside
GD134836
Name:
7,18-bis(hydroxymethyl)-13-(3-hydroxypropyl)-2,3,7,11,18-pentamethyl-9-({4-[(methylamino)methyl]phenyl}methoxy)-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[14.7.2.0²,¹âµ.0³,¹².0â¶,¹¹.0²â°,²âµ]pentacos-14-ene-25-carboxylic acidFormula:
C50H77O11NSmiles:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3C(CCCO)C=C3C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C34C)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3C(CCCO)C=C3C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C34C)C(C)(CO)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 13 |
| MolWt: | 868.16 | Num_heavy_atoms: | 62 |
| TPSA: | 198.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD54542
Formula: C45H69O7N
Smiles:
CNCc1ccc(COC2CC3(C)C(CCC4(C)C3C(CCCO)C=C3C5CC(C)(CO)CC6CCCC(CC65C(=O)O)C34C)C(C)(CO)C2O)cc1| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 736.05 | Num_heavy_atoms: | 53 |
| TPSA: | 139.48 | NumAromaticRings: | 1 |
