Glycoside
GD123326
Name:
Jbir-91Formula:
C38H49O15NSmiles:
CC1CC(=O)C2(O)C3=C(C=CC2(OC2CC(O)C(OC4CC(O)C(O)C(C)O4)C(N(C)C)O2)C1)C(=O)c1c(ccc(C2CC(O)C(O)C(C)O2)c1O)C3=OAglycone:
CC1CC(=O)C2(O)C3=C(C=CC2(O)C1)C(=O)c1c(ccc(C2CC(O)C(O)C(C)O2)c1O)C3=OSugarmoiety:
CC1OC(OC2C(O)CC(O)OC2N(C)C)CC(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.66 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 759.8 | Num_heavy_atoms: | 54 |
| TPSA: | 242.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD49756
Formula: C25H26O9
Smiles:
CC1CC(=O)C2(O)C3=C(C=CC2(O)C1)C(=O)c1c(ccc(C2CC(O)C(O)C(C)O2)c1O)C3=O| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.47 | Num_heavy_atoms: | 34 |
| TPSA: | 161.59 | NumAromaticRings: | 1 |
