Glycoside
GD007696
Name:
NoneFormula:
C65H84O15N8Smiles:
COc1ccc(NC(C)=O)cc1C(=O)NNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CCOC[C@@H]1OC(OCCCNC(=O)[C@H](NC(=O)[C@H](C)N)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1Aglycone:
CC(N)C(=O)NC(C(=O)NCCCO)C(C)C.COCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.43 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 35 |
| MolWt: | 1217.43 | Num_heavy_atoms: | 88 |
| TPSA: | 303.56 | NumAromaticRings: | 5 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00099
Formula: C11H23O3N3
Smiles:
CC(N)C(=O)NC(C(=O)NCCCO)C(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 245.32 | Num_heavy_atoms: | 17 |
| TPSA: | 104.45 | NumAromaticRings: | 0 |
AD06238
Formula: C28H37O8N5
Smiles:
COCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cc(NC(C)=O)ccc1OC| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 15 |
| MolWt: | 571.63 | Num_heavy_atoms: | 41 |
| TPSA: | 173.19 | NumAromaticRings: | 2 |
