Glycoside
GD112059
Name:
NoneFormula:
C33H31O12NSmiles:
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5ccccc5n4)c(C)oc3c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2ccccc2n1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 633.61 | Num_heavy_atoms: | 46 |
| TPSA: | 166.76 | NumAromaticRings: | 4 |
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 |
AD44735
Formula: C19H13O3N
Smiles:
Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2ccccc2n1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 303.32 | Num_heavy_atoms: | 23 |
| TPSA: | 63.33 | NumAromaticRings: | 4 |
