Glycoside
GD027935
Name:
Concanamycin CFormula:
C45H74O13Smiles:
CC=C[C@@H]1O[C@](O)([C@H](C)[C@H](O)[C@H](C)[C@@H]2OC(=O)C(OC)=CC(C)=C[C@H](C)[C@H](O)[C@H](CC)[C@H](O)[C@H](C)CC(C)=CC=C[C@H]2OC)C[C@H](OC2CC(O)C(O)C(C)O2)[C@H]1CAglycone:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 10 |
| MolWt: | 823.07 | Num_heavy_atoms: | 58 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD03017
Formula: C39H64O10
Smiles:
CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 692.93 | Num_heavy_atoms: | 49 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
