Glycoside
GD116948
Name:
6-{[5-carboxy-6-(methoxymethyl)-1,8,21,21,26-pentamethyl-17-({[2-(methylamino)ethyl]amino}methyl)-2-(3-oxopropyl)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:
C48H74O11N2Smiles:
CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(OC6OC(C(=O)O)C(O)C(O)C6O)CC1C4(C)C23)C5Aglycone:
CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23)C5Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 14 |
| MolWt: | 855.12 | Num_heavy_atoms: | 61 |
| TPSA: | 204.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD46544
Formula: C42H66O5N2
Smiles:
CNCCNCC1CC2C=C3C45C=CCC(C)(CC(COC)C4(C(=O)O)CCC3(CCC=O)C3(C)CCC4C(C)(C)C(O)CC1C4(C)C23)C5| HBA: | 7 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 6.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 679.0 | Num_heavy_atoms: | 49 |
| TPSA: | 107.89 | NumAromaticRings: | 0 |
