Glycoside
GD028999
Name:
NoneFormula:
C48H78O13N2Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)N6CCN(CCC(=O)O)CC6)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1(C)CCC2(C(=O)N3CCN(CCC(=O)O)CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 9 |
| MolWt: | 891.15 | Num_heavy_atoms: | 63 |
| TPSA: | 219.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD06910
Formula: C37H60O5N2
Smiles:
CC1(C)CCC2(C(=O)N3CCN(CCC(=O)O)CC3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 5.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 612.9 | Num_heavy_atoms: | 44 |
| TPSA: | 101.31 | NumAromaticRings: | 0 |
