Glycoside
GD003303
Name:
NoneFormula:
C55H102O13N6Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)[C@H](CC)NC(=O)CO[C@H]1[C@H](NC(C)=O)C(O)O[C@@H](CO)[C@H]1O)C(N)=O)C(=O)OAglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCCCC(NC(=O)CCC(NC(=O)C(CC)NC(=O)CO)C(N)=O)C(=O)OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 11 | FractionCSP3: | 0.87 |
| AlogP: | 6.25 | Num_rotatable_bonds: | 47 |
| MolWt: | 1055.45 | Num_heavy_atoms: | 74 |
| TPSA: | 305.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD03009
Formula: C47H89O8N5
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NCCCCC(NC(=O)CCC(NC(=O)C(CC)NC(=O)CO)C(N)=O)C(=O)O| HBA: | 13 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.87 |
| AlogP: | 8.28 | Num_rotatable_bonds: | 43 |
| MolWt: | 852.26 | Num_heavy_atoms: | 60 |
| TPSA: | 217.02 | NumAromaticRings: | 0 |
