Glycoside
GD018953
Name:
NoneFormula:
C43H66O11N4Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 11 |
| MolWt: | 815.02 | Num_heavy_atoms: | 58 |
| TPSA: | 191.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD13286
Formula: C35H51O8N3
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCC(=O)N2CCN(c3ccccc3)CC2)C=CC(C)=CC1CO| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 641.81 | Num_heavy_atoms: | 46 |
| TPSA: | 149.2 | NumAromaticRings: | 1 |
