Glycoside
GD120235
Name:
1-(8-{[6-(4-amino-1-hydroxycyclohex-2-en-1-yl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-hydroxy-6-methoxy-3-methylnaphthalen-2-yl)butan-1-oneFormula:
C27H35O9NSmiles:
CCCC(=O)c1c(C)cc2cc(OC)cc(OC3OC(C4(O)C=CC(N)CC4)C(O)C(O)C3O)c2c1OAglycone:
CCCC(=O)c1c(C)cc2cc(OC)cc(O)c2c1O.NC1C=CC(O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 517.58 | Num_heavy_atoms: | 37 |
| TPSA: | 171.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD45993
Formula: C16H18O4
Smiles:
CCCC(=O)c1c(C)cc2cc(OC)cc(O)c2c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
AD48272
Formula: C6H11ON
Smiles:
NC1C=CC(O)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.16 | Num_heavy_atoms: | 8 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
