Glycoside
GD000539
Name:
NoneFormula:
C49H75O17N3Smiles:
COC(=O)[C@H](Cc1c[nH]cn1)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)C(Cc1c[nH]cn1)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: | 20 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.84 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 12 |
| MolWt: | 978.14 | Num_heavy_atoms: | 69 |
| TPSA: | 309.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD00592
Formula: C38H57O8N3
Smiles:
COC(=O)C(Cc1c[nH]cn1)NC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 683.89 | Num_heavy_atoms: | 49 |
| TPSA: | 171.07 | NumAromaticRings: | 1 |
