Glycoside
GD115001
Name:
8,19-bis(hydroxymethyl)-13-(3-hydroxypropyl)-2,8,15,19-tetramethyl-17-({4-[(methylamino)methyl]phenyl}methoxy)-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.3.0¹,¹â´.0²,¹¹.0âµ,¹â°.0¹âµ,²â°]pentacos-11-ene-5-carboxylic acidFormula:
C49H75O11NSmiles:
CNCc1ccc(COC2CC3(C)C(CCC45CCCC(CCCO)(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2OC2OCC(O)C(O)C2O)cc1Aglycone:
CNCc1ccc(COC2CC3(C)C(CCC45CCCC(CCCO)(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2O)cc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.82 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 854.14 | Num_heavy_atoms: | 61 |
| TPSA: | 198.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD45408
Formula: C44H67O7N
Smiles:
CNCc1ccc(COC2CC3(C)C(CCC45CCCC(CCCO)(C=C6C7CC(C)(CO)CCC7(C(=O)O)CCC64C)C35)C(C)(CO)C2O)cc1| HBA: | 8 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.8 |
| AlogP: | 6.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 722.02 | Num_heavy_atoms: | 52 |
| TPSA: | 139.48 | NumAromaticRings: | 1 |
