Glycoside
GD116811
Name:
2-[2-(5-hydroxy-8-methoxy-6-{[3,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-oneFormula:
C35H39O11NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2(O)CO)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c3c(c2c1)CCC1CCCC31Aglycone:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c3c(c2c1)CCC1CCCC31Sugarmoiety:
OCC1OC(O)C(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.49 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 649.69 | Num_heavy_atoms: | 47 |
| TPSA: | 186.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD46461
Formula: C28H27O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c3c(c2c1)CCC1CCCC31| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 457.53 | Num_heavy_atoms: | 34 |
| TPSA: | 87.07 | NumAromaticRings: | 3 |
