Glycoside
GD114324
Name:
1-{3-cyclopentyl-1-hydroxy-6-methoxy-8-[(3,4,5-trihydroxy-6-{[(1H-indol-3-yl)methoxy]methyl}oxan-2-yl)oxy]naphthalen-2-yl}ethan-1-oneFormula:
C33H37O9NSmiles:
COc1cc(OC2OC(COCc3c[nH]c4ccccc34)C(O)C(O)C2O)c2c(O)c(C(C)=O)c(C3CCCC3)cc2c1Aglycone:
COCc1c[nH]c2ccccc12.COc1cc(O)c2c(O)c(C(C)=O)c(C3CCCC3)cc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 591.66 | Num_heavy_atoms: | 43 |
| TPSA: | 150.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD44987
Formula: C10H11ON
Smiles:
COCc1c[nH]c2ccccc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 25.02 | NumAromaticRings: | 2 |
AD44988
Formula: C18H20O4
Smiles:
COc1cc(O)c2c(O)c(C(C)=O)c(C3CCCC3)cc2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.35 | Num_heavy_atoms: | 22 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
