Glycoside
GD024970
Name:
NoneFormula:
C44H71O15NSmiles:
CCNC(=O)[C@@]12CC[C@@](C)(C(=O)OC)C[C@H]1C1=CC[C@@H]3[C@]4(C)C[C@H](O)[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]3(C)[C@@]1(C)CC2Aglycone:
CCNC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 854.04 | Num_heavy_atoms: | 60 |
| TPSA: | 254.16 | NumAromaticRings: | 0 |
Unique Aglycone
AD16606
Formula: C33H53O6N
Smiles:
CCNC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 559.79 | Num_heavy_atoms: | 40 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
