Glycoside
GD139270
Name:
6-{[5-carboxy-6-(methoxymethyl)-1,2,8,21,21,26-hexamethyl-17-[(methylamino)methyl]heptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C44H67O10NSmiles:
CNCC1CC2C=C3C(C)(CCC4(C(=O)O)C(COC)CC5(C)CC=CC34C5)C3(C)CCC4C(C)(C)C(OC5OC(C(=O)O)C(O)C(O)C5O)CC1C4(C)C23Aglycone:
CNCC1CC2C=C3C(C)(CCC4(C(=O)O)C(COC)CC5(C)CC=CC34C5)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 5.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 770.02 | Num_heavy_atoms: | 55 |
| TPSA: | 175.01 | NumAromaticRings: | 0 |
Unique Aglycone
AD56160
Formula: C38H59O4N
Smiles:
CNCC1CC2C=C3C(C)(CCC4(C(=O)O)C(COC)CC5(C)CC=CC34C5)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23| HBA: | 5 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 7.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 593.89 | Num_heavy_atoms: | 43 |
| TPSA: | 78.79 | NumAromaticRings: | 0 |
