Glycoside
GD008104
Name:
TILDIPIROSINFormula:
C41H71O8N3Smiles:
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](CCN2CCCCC2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CN1CCCCC1Aglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CCCCC2)CC(C)C(=O)C=CC(C)=CC1CN1CCCCC1Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 734.03 | Num_heavy_atoms: | 52 |
| TPSA: | 132.24 | NumAromaticRings: | 0 |
Unique Aglycone
AD06516
Formula: C33H56O5N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CCCCC2)CC(C)C(=O)C=CC(C)=CC1CN1CCCCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.82 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.82 | Num_heavy_atoms: | 40 |
| TPSA: | 90.31 | NumAromaticRings: | 0 |
