Glycoside
GD153673
Name:
ethyl 12-(cyclopentyloxy)-13-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-oxo-10-oxa-5-azapentacyclo[9.6.2.0³,â·.0â¸,¹â¹.0¹â´,¹â¸]nonadeca-8,11,13,18-tetraene-16-carboxylateFormula:
C31H39O12NSmiles:
CCOC(=O)C1Cc2c(OC3OC(C(O)O)C(O)C(O)C3O)c(OC3CCCC3)c3occ4c3c2C(C1)CC1C(O)=NCC41Aglycone:
CCOC(=O)C1Cc2c(O)c(OC3CCCC3)c3occ4c3c2C(C1)CC1C(O)=NCC41Sugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 617.65 | Num_heavy_atoms: | 44 |
| TPSA: | 200.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD53983
Formula: C25H29O6N
Smiles:
CCOC(=O)C1Cc2c(O)c(OC3CCCC3)c3occ4c3c2C(C1)CC1C(O)=NCC41| HBA: | 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 |
