Glycoside
GD022976
Name:
NoneFormula:
C46H74O15N2Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C(=O)N3CCNCC3)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)N3CCNCC3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 895.1 | Num_heavy_atoms: | 63 |
| TPSA: | 257.4 | NumAromaticRings: | 0 |
Unique Aglycone
AD15503
Formula: C35H56O6N2
Smiles:
COC(=O)C1(C)CCC2(C(=O)N3CCNCC3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 600.84 | Num_heavy_atoms: | 43 |
| TPSA: | 119.33 | NumAromaticRings: | 0 |
