Glycoside
GD125464
Name:
ethyl 13-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-12-[2-(methylamino)ethoxy]-4-oxo-10-oxa-5-azapentacyclo[9.6.2.0³,â·.0â¸,¹â¹.0¹â´,¹â¸]nonadeca-8,11,13,18-tetraene-16-carboxylateFormula:
C29H38O12N2Smiles:
CCOC(=O)C1Cc2c(OC3OC(C(O)O)C(O)C(O)C3O)c(OCCNC)c3occ4c3c2C(C1)CC1C(O)=NCC41Aglycone:
CCOC(=O)C1Cc2c(O)c(OCCNC)c3occ4c3c2C(C1)CC1C(O)=NCC41Sugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 606.63 | Num_heavy_atoms: | 43 |
| 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 |
