Glycoside
GD034117
Name:
NoneFormula:
C41H44O10N3FCl2Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(NC(=O)c3ccc(NC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)cc3)cc2)[C@H](F)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(F)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 6.05 | Num_rotatable_bonds: | 18 |
| MolWt: | 804.7 | Num_heavy_atoms: | 55 |
| TPSA: | 158.8 | 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 |
AD21720
Formula: C29H29O3N3Cl2
Smiles:
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 514.45 | Num_heavy_atoms: | 35 |
| TPSA: | 81.67 | NumAromaticRings: | 3 |
