Glycoside
GD156041
Name:
2-[2-(3-cyclopentyl-1-hydroxy-6-methoxy-8-{[3,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindol-1-oneFormula:
C33H37O11NSmiles:
COc1cc(OC2OC(CO)C(O)C(O)C2(O)CO)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1Sugarmoiety:
OCC1OC(O)C(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 623.66 | Num_heavy_atoms: | 45 |
| TPSA: | 186.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD53530
Formula: C26H25O5N
Smiles:
COc1cc(O)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.49 | Num_heavy_atoms: | 32 |
| TPSA: | 87.07 | NumAromaticRings: | 3 |
