Glycoside
GD130713
Name:
[3,4-bis(acetyloxy)-5-acetamido-6-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetateFormula:
C27H31O11NSmiles:
CC(=O)OCC1OC(Oc2ccc3c4c(c(=O)oc3c2)CCCC4)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=c1oc2cc(O)ccc2c2c1CCCC2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(N=C(C)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 545.54 | Num_heavy_atoms: | 39 |
| TPSA: | 160.16 | NumAromaticRings: | 2 |
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 |
AD30272
Formula: C13H12O3
Smiles:
O=c1oc2cc(O)ccc2c2c1CCCC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
