Glycoside
GD134997
Name:
8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methoxy-3-methyl-1-propyl-1H,3H,4H,6H,9H-naphtho[2,3-c]pyran-6,9-dioneFormula:
C23H28O9Smiles:
CCCC1OC(C)(OC)Cc2cc3c(c(O)c21)C(=O)C(C1OC(CO)C(O)C1O)=CC3=OAglycone:
CCCC1OC(C)(OC)Cc2cc3c(c(O)c21)C(=O)C=CC3=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.47 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD54605
Formula: C18H20O5
Smiles:
CCCC1OC(C)(OC)Cc2cc3c(c(O)c21)C(=O)C=CC3=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.35 | Num_heavy_atoms: | 23 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
