Glycoside
GD039934
Name:
PulvomycinFormula:
C47H66O13Smiles:
CO[C@@H]1[C@@H](C)O[C@H](O[C@H](C)[C@@H](O)C=CC=CC=CC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H]2CC=CC=CC=C[C@@H](O)C(=O)C(C)=CC=CC(C)=C[C@@H](O)C(C)=CCC(=O)O2)[C@H](OC)[C@@H]1OAglycone:
CC1=CC(O)C(C)=CCC(=O)OC(C(C)C(O)C(C)C(=O)C=CC=CC=CC(O)C(C)O)CC=CC=CC=CC(O)C(=O)C(C)=CC=C1Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 13 |
| MolWt: | 839.03 | Num_heavy_atoms: | 60 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD24595
Formula: C39H52O9
Smiles:
CC1=CC(O)C(C)=CCC(=O)OC(C(C)C(O)C(C)C(=O)C=CC=CC=CC(O)C(C)O)CC=CC=CC=CC(O)C(=O)C(C)=CC=C1| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.84 | Num_heavy_atoms: | 48 |
| TPSA: | 161.59 | NumAromaticRings: | 0 |
