Glycoside
GD006192
Name:
NoneFormula:
C63H116O17N4Smiles:
CCCCCCCCCCCCCCCCOC(=O)CC[C@H](NCCOCCOCCNC(=O)[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCCC(=O)O)[C@H](C)O[C@@H]1O[C@H](C)[C@H](O)C(O)C1O)C(=O)OCCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCOC(=O)CCC(NCCOCCOCCNC(=O)C(NC(=O)C1CC(O)CN1C(=O)CCCC(=O)O)C(C)O)C(=O)OCCCCCCCCCCCCCCCCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 7.86 | Num_rotatable_bonds: | 54 |
| MolWt: | 1201.63 | Num_heavy_atoms: | 84 |
| TPSA: | 298.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD05144
Formula: C57H106O13N4
Smiles:
CCCCCCCCCCCCCCCCOC(=O)CCC(NCCOCCOCCNC(=O)C(NC(=O)C1CC(O)CN1C(=O)CCCC(=O)O)C(C)O)C(=O)OCCCCCCCCCCCCCCCC| HBA: | 17 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 9.01 | Num_rotatable_bonds: | 52 |
| MolWt: | 1055.49 | Num_heavy_atoms: | 74 |
| TPSA: | 239.36 | NumAromaticRings: | 0 |
