Glycoside
GD026484
Name:
CARIBAEOSIDEFormula:
C35H48O11N2Smiles:
CO[C@@]12C=C[C@](C)(O1)[C@H](OC(=O)C=Cc1cn(C)cn1)C[C@@H]1[C@H](C=C2CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2OC(C)=O)[C@H](C(C)C)C=C[C@]1(C)OAglycone:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C=C2CO)C(C(C)C)C=CC1(C)OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 672.77 | Num_heavy_atoms: | 48 |
| TPSA: | 168.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD17451
Formula: C28H38O6N2
Smiles:
COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C=C2CO)C(C(C)C)C=CC1(C)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 498.62 | Num_heavy_atoms: | 36 |
| TPSA: | 103.04 | NumAromaticRings: | 1 |
