Glycoside
GD134526
Name:
6-{[14-carboxy-13-(methoxymethyl)-11,24,24,31-tetramethyl-28-[(methylamino)methyl]-4-(2-oxoethyl)nonacyclo[21.7.1.1â¶,³â°.1â·,¹¹.0¹,²â°.0âµ,¹â¶.0âµ,²â°.0â·,¹â´.0²â·,³¹]tritriaconta-2,6(32),8-trien-25-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C50H71O11NSmiles:
CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(OC9OC(C(=O)O)C(O)C(O)C9O)CC1C8(C)C26C=CC(CC=O)C347)C5Aglycone:
CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(O)CC1C8(C)C26C=CC(CC=O)C347)C5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 10 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 862.11 | Num_heavy_atoms: | 62 |
| TPSA: | 192.08 | NumAromaticRings: | 0 |
Unique Aglycone
AD54417
Formula: C44H63O5N
Smiles:
CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC67CCC8C(C)(C)C(O)CC1C8(C)C26C=CC(CC=O)C347)C5| HBA: | 6 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 7.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 685.99 | Num_heavy_atoms: | 50 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
