Glycoside

GD005045
Name:
Deoliosyl-3C-Î’-D-Mycarosyl-MithramycinFormula:
C46H66O21Smiles:
CO[C@H](C(=O)[C@H](O)[C@H](C)O)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](O)[C@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1Aglycone:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
CC1OC(O)CC(OC2CC(C)(O)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
HBA: | 21 | RingCount: | 7 |
HBD: | 10 | FractionCSP3: | 0.74 |
AlogP: | -0.13 | Num_rotatable_bonds: | 13 |
MolWt: | 955.01 | Num_heavy_atoms: | 67 |
TPSA: | 319.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD00382
Formula: C15H14O5
Smiles:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3HBA: | 5 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.27 |
AlogP: | 1.75 | Num_rotatable_bonds: | 0 |
MolWt: | 274.27 | Num_heavy_atoms: | 20 |
TPSA: | 97.99 | NumAromaticRings: | 2 |
Sugarmoiety

SD00946
CC1OC(O)CC(OC2CC(C)(O)C(O)C(C)O2)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O