Glycoside
GD011285
Name:
RubymycinFormula:
C33H30O17Smiles:
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@]1(Oc2c(O)c4c(c(O)c2[C@H]1OC1CC(OC)C(O)C(C)O1)C(=O)C=C(OC)C4=O)[C@H](O)C3Aglycone:
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)OC1(Oc2c(O)c4c(c(O)c2C1O)C(=O)C=C(OC)C4=O)C(O)C3Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 698.59 | Num_heavy_atoms: | 50 |
| TPSA: | 247.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD08640
Formula: C26H18O14
Smiles:
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)OC1(Oc2c(O)c4c(c(O)c2C1O)C(=O)C=C(OC)C4=O)C(O)C3| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 554.42 | Num_heavy_atoms: | 40 |
| TPSA: | 219.49 | NumAromaticRings: | 3 |
