Glycoside
GD031220
Name:
NoneFormula:
C35H62O15N2P2Smiles:
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@H](CO)N[C@H](CP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)CC1NC(CO)C(O)C(O)C1OSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.74 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 21 |
| MolWt: | 812.83 | Num_heavy_atoms: | 54 |
| TPSA: | 274.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD20127
Formula: C27H49O10NP2
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)CC1NC(CO)C(O)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 17 |
| MolWt: | 609.63 | Num_heavy_atoms: | 40 |
| TPSA: | 186.01 | NumAromaticRings: | 0 |
