Glycoside
GD118508
Name:
ethyl 12-[2-(methylamino)ethoxy]-4-oxo-13-{[3,4,5-trihydroxy-3-(2-hydroxyethyl)-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxa-5-azapentacyclo[9.6.2.0³,â·.0â¸,¹â¹.0¹â´,¹â¸]nonadeca-8,11,13,18-tetraene-16-carboxylateFormula:
C31H42O12N2Smiles:
CCOC(=O)C1Cc2c(OC3OC(CO)C(O)C(O)C3(O)CCO)c(OCCNC)c3occ4c3c2C(C1)CC1C(O)=NCC41Aglycone:
CCOC(=O)C1Cc2c(O)c(OCCNC)c3occ4c3c2C(C1)CC1C(O)=NCC41Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 634.68 | Num_heavy_atoms: | 45 |
| TPSA: | 212.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD47395
Formula: C23H28O6N2
Smiles:
CCOC(=O)C1Cc2c(O)c(OCCNC)c3occ4c3c2C(C1)CC1C(O)=NCC41| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.49 | Num_heavy_atoms: | 31 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
