Glycoside
GD157588
Name:
agb+s1Formula:
C38H56O6N2Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(OC2OCC(O)C(O)C2N)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1OAglycone:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1OSugarmoiety:
NC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 6.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 636.87 | Num_heavy_atoms: | 46 |
| TPSA: | 137.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD51972
Formula: C33H47O3N
Smiles:
CCC(C)CC1=CC(C)=CC=CC=CC(C)(O)C(O)C=CC=CC(C)=CC=CC(C)=CCC(C)N=C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 7.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 505.74 | Num_heavy_atoms: | 37 |
| TPSA: | 73.05 | NumAromaticRings: | 0 |
