Glycoside
GD028092
Name:
NoneFormula:
C47H81O15N3Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](C[C@H](C(=O)NC(C)(C)C)N(C)C(C)=O)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(C)C(C)=O)CC(C)C(=O)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 13 |
| MolWt: | 928.17 | Num_heavy_atoms: | 65 |
| TPSA: | 232.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD18391
Formula: C31H52O8N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(C)C(C)=O)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.76 | Num_heavy_atoms: | 41 |
| TPSA: | 153.47 | NumAromaticRings: | 0 |
