Glycoside
GD021759
Name:
NoneFormula:
C31H42O15N2Smiles:
CC(=O)OC[C@@H]1O[C@H](ON=C2C[C@H](O)[C@H](O)[C@H]3[C@@H]2CC[C@@H]2C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]23)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1CC1CCCO1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.77 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 682.68 | Num_heavy_atoms: | 48 |
| TPSA: | 223.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06638
Formula: C17H24O6N2
Smiles:
O=C1C2CCC3C(=NO)CC(O)C(O)C3C2C(=O)N1CC1CCCO1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.39 | Num_heavy_atoms: | 25 |
| TPSA: | 119.66 | NumAromaticRings: | 0 |
