Glycoside
GD117646
Name:
6-{[7-carboxy-29-hydroxy-8-(methoxymethyl)-10,23,23,28-tetramethyl-19-[(methylamino)methyl]-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:
C48H71O12NSmiles:
CNCC1CC2C=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)C5OAglycone:
CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(O)CC1C7(C)C26)C34CCC=O)C5OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 11 |
| MolWt: | 854.09 | Num_heavy_atoms: | 61 |
| TPSA: | 212.31 | NumAromaticRings: | 0 |
Unique Aglycone
AD46937
Formula: C42H63O6N
Smiles:
CNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CC4CCCC6(CCC7C(C)(C)C(O)CC1C7(C)C26)C34CCC=O)C5O| HBA: | 7 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 6.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 677.97 | Num_heavy_atoms: | 49 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
