Glycoside

GD133367
Name:
ethyl 12-(cyclopentyloxy)-4-oxo-13-{[3,4,5-trihydroxy-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:
C31H39O11NSmiles:
CCOC(=O)C1Cc2c(OC3OC(CO)C(O)C(O)C3O)c(OC3CCCC3)c3occ4c3c2C(C1)CC1C(O)=NCC41Aglycone:
CCOC(=O)C1Cc2c(O)c(OC3CCCC3)c3occ4c3c2C(C1)CC1C(O)=NCC41Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.68 |
AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
MolWt: | 601.65 | Num_heavy_atoms: | 43 |
TPSA: | 180.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD53983
Formula: C25H29O6N
Smiles:
CCOC(=O)C1Cc2c(O)c(OC3CCCC3)c3occ4c3c2C(C1)CC1C(O)=NCC41HBA: | 7 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.6 |
AlogP: | 4.74 | Num_rotatable_bonds: | 4 |
MolWt: | 439.51 | Num_heavy_atoms: | 32 |
TPSA: | 101.49 | NumAromaticRings: | 2 |