Glycoside
GD143336
Name:
[6-({1-acetyl-9H-pyrido[3,4-b]indol-6-yl}oxy)-4,5-bis(acetyloxy)-3-methoxyoxan-2-yl]methyl acetateFormula:
C26H28O10N2Smiles:
COC1C(COC(C)=O)OC(Oc2ccc3[nH]c4c(C(C)=O)nccc4c3c2)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)c1nccc2c1[nH]c1ccc(O)cc12.COC(C)=OSugarmoiety:
COC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 152.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD57660
Formula: C13H10O2N2
Smiles:
CC(=O)c1nccc2c1[nH]c1ccc(O)cc12| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.23 | Num_heavy_atoms: | 17 |
| TPSA: | 65.98 | NumAromaticRings: | 3 |
