Glycoside
GD036398
Name:
NoneFormula:
C58H94O17N4Smiles:
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](CC(C(=O)NC(C)(C)C)N(CCNC(=O)OC(C)(C)C)C(=O)c2ccccc2)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(CCNC(=O)OC(C)(C)C)C(=O)c2ccccc2)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: | 21 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 17 |
| MolWt: | 1119.4 | Num_heavy_atoms: | 79 |
| TPSA: | 270.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD22959
Formula: C42H65O10N3
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(CCNC(=O)OC(C)(C)C)C(=O)c2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 771.99 | Num_heavy_atoms: | 55 |
| TPSA: | 191.8 | NumAromaticRings: | 1 |
