Glycoside
GD037239
Name:
NoneFormula:
C43H77O15N3Smiles:
CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@H]([C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@@H]3[C@@H]12Aglycone:
COC1CC2CC(O)CCC2(C)C2CCC3(C)C(C(C)CCC(=O)N(CCCN)CCCN)CCC3C12Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)CO.O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 13 | FractionCSP3: | 0.93 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 23 |
| MolWt: | 876.1 | Num_heavy_atoms: | 61 |
| TPSA: | 310.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD23472
Formula: C31H57O3N3
Smiles:
COC1CC2CC(O)CCC2(C)C2CCC3(C)C(C(C)CCC(=O)N(CCCN)CCCN)CCC3C12| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 519.82 | Num_heavy_atoms: | 37 |
| TPSA: | 101.81 | NumAromaticRings: | 0 |
