Glycoside
GD021060
Name:
NoneFormula:
C51H89O9N3SSmiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CSC2OC(C)C(O)C(O)C2O)cc(C(=O)NC(CCC(=O)O)C(=O)NC)c1Aglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS)cc(C(=O)NC(CCC(=O)O)C(=O)NC)c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 9.98 | Num_rotatable_bonds: | 38 |
| MolWt: | 920.35 | Num_heavy_atoms: | 64 |
| TPSA: | 194.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD14449
Formula: C45H79O5N3S
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS)cc(C(=O)NC(CCC(=O)O)C(=O)NC)c1| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 11.35 | Num_rotatable_bonds: | 36 |
| MolWt: | 774.21 | Num_heavy_atoms: | 54 |
| TPSA: | 124.6 | NumAromaticRings: | 1 |
