Glycoside
GD001972
Name:
NoneFormula:
C55H80O17N2Smiles:
COC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=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:
COC(=O)CC(Cc1c[nH]c2ccccc12)NC(=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: | 19 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 1041.24 | Num_heavy_atoms: | 74 |
| TPSA: | 296.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD01919
Formula: C44H62O8N2
Smiles:
COC(=O)CC(Cc1c[nH]c2ccccc12)NC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 746.99 | Num_heavy_atoms: | 54 |
| TPSA: | 158.18 | NumAromaticRings: | 2 |
