Glycoside
GD002561
Name:
NoneFormula:
C27H39O13N3Smiles:
COC(=O)CNC(=O)C(CC1OC(C)C(O)C(O)C1O)N(Cc1ccccc1)C(=O)C(NC(=O)CCC(=O)O)C(O)COAglycone:
COC(=O)CNC(=O)C(C)N(Cc1ccccc1)C(=O)C(NC(=O)CCC(=O)O)C(O)COSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -3.36 | Num_rotatable_bonds: | 15 |
| MolWt: | 613.62 | Num_heavy_atoms: | 43 |
| TPSA: | 252.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD02432
Formula: C21H29O9N3
Smiles:
COC(=O)CNC(=O)C(C)N(Cc1ccccc1)C(=O)C(NC(=O)CCC(=O)O)C(O)CO| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 467.48 | Num_heavy_atoms: | 33 |
| TPSA: | 182.57 | NumAromaticRings: | 1 |
