Glycoside
GD114774
Name:
Jbir-13Formula:
C35H51O13NSmiles:
CCCC1CC=CC=CC=CC=CC(OC2OC(C)C(N)C(O)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)OAglycone:
CCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1NOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.66 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 5 |
| MolWt: | 693.79 | Num_heavy_atoms: | 49 |
| TPSA: | 230.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD45275
Formula: C29H40O10
Smiles:
CCCC1CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 166.28 | NumAromaticRings: | 0 |
