Glycoside
GD123059
Name:
6-({7-carboxy-19-[2-hydroxy-1-(methylamino)ethyl]-8-(methoxymethyl)-10,23,23,28-tetramethyl-30-(3-oxopropyl)octacyclo[18.6.2.1¹,âµ.1¹â°,¹â´.0â·,¹â´.0¹â·,²â·.0²â´,²â¸.0¹âµ,³â°]triaconta-12,15-dien-22-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C49H73O12NSmiles:
CNC(CO)C1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(OC8OC(C(=O)O)C(O)C(O)C8O)CC1C7(C)C26)C34CCC=O)C5Aglycone:
CNC(CO)C1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(O)CC1C7(C)C26)C34CCC=O)C5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 12 |
| MolWt: | 868.12 | Num_heavy_atoms: | 62 |
| TPSA: | 212.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD49638
Formula: C43H65O6N
Smiles:
CNC(CO)C1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(O)CC1C7(C)C26)C34CCC=O)C5| HBA: | 7 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 6.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 691.99 | Num_heavy_atoms: | 50 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
