Glycoside
GD018582
Name:
NoneFormula:
C45H68O13N2SSmiles:
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)CC[C@H](CC=C2Nc3ccccc3S2)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)CCC(CC=C2Nc3ccccc3S2)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 877.11 | Num_heavy_atoms: | 61 |
| TPSA: | 194.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD13085
Formula: C29H39O6NS
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)CCC(CC=C2Nc3ccccc3S2)C(=O)C=CC(C)=CC1CO| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 4.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 529.7 | Num_heavy_atoms: | 37 |
| TPSA: | 116.09 | NumAromaticRings: | 1 |
