Glycoside
GD022100
Name:
NoneFormula:
C45H51O13N3Smiles:
CC1OC(CC(C(=O)NCCc2ccccc2)N(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)CCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(O)C(O)C1OAglycone:
CC(C(=O)NCCc1ccccc1)N(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)CCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 21 |
| MolWt: | 841.91 | Num_heavy_atoms: | 61 |
| TPSA: | 241.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD15023
Formula: C39H41O9N3
Smiles:
CC(C(=O)NCCc1ccccc1)N(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)CCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 5.21 | Num_rotatable_bonds: | 19 |
| MolWt: | 695.77 | Num_heavy_atoms: | 51 |
| TPSA: | 171.57 | NumAromaticRings: | 4 |
