Glycoside
GD140595
Name:
Orobol 8-C-(6''-Acetylglucoside)Formula:
C23H22O12Smiles:
CC(=O)OCC1OC(c2c(O)cc(O)c3c(=O)c(-c4ccc(O)c(O)c4)coc23)C(O)C(O)C1OAglycone:
COC(C)=O.O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 207.35 | 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 |
AD16357
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
