Glycoside
GD134201
Name:
8-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-1-hydroxy-5-methoxy-3-methyl-6-(2-oxopiperidin-3-yl)-5,6,7,12-tetrahydro-6-azatetraphene-7,12-dioneFormula:
C30H32O9N2Smiles:
COC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(OC4CC(O)C(O)C(C)O4)cccc3C2=O)N1C1CCCN=C1OAglycone:
COC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(O)cccc3C2=O)N1C1CCCN=C1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.59 | Num_heavy_atoms: | 41 |
| TPSA: | 158.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD54292
Formula: C24H22O6N2
Smiles:
COC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(O)cccc3C2=O)N1C1CCCN=C1O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 434.45 | Num_heavy_atoms: | 32 |
| TPSA: | 119.66 | NumAromaticRings: | 2 |
