Glycoside
GD009596
Name:
NoneFormula:
C43H78O14N2Smiles:
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C23C(C)C2NC(COCCOC)OC3C1(C)OAglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C23C(C)C2NC(COCCOC)OC3C1(C)OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.98 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 847.1 | Num_heavy_atoms: | 59 |
| TPSA: | 196.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD07511
Formula: C35H64O11N2
Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C23C(C)C2NC(COCCOC)OC3C1(C)O| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 688.9 | Num_heavy_atoms: | 48 |
| TPSA: | 168.64 | NumAromaticRings: | 0 |
