Glycoside
GD148680
Name:
AmaronitidinFormula:
C29H28O13Smiles:
C=CC1C2=CCOC(=O)C2=COC1OC1OC(CO)C(O)C(O)C1OC(=O)c1c(O)cc(O)cc1-c1cccc(O)c1Aglycone:
C=CC1C2=CCOC(=O)C2=COC1O.O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 584.53 | Num_heavy_atoms: | 42 |
| TPSA: | 201.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
AD44490
Formula: C13H10O5
Smiles:
O=C(O)c1c(O)cc(O)cc1-c1cccc(O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
