Glycoside
GD132880
Name:
Demethylchromomycin A3Formula:
C56H80O26Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(OC(C)=O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1Aglycone:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3Sugarmoiety:
CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(O)C(C)O1.CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.75 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 17 |
| MolWt: | 1169.23 | Num_heavy_atoms: | 82 |
| TPSA: | 370.34 | NumAromaticRings: | 2 |
Unique Aglycone
AD00382
Formula: C15H14O5
Smiles:
Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C(O)CC3| HBA: | 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
SD07578
CC(=O)OC1C(C)OC(O)CC1OC1CC(O)C(O)C(C)O1.CC(=O)OC1C(C)OC(OC2CC(OC3CC(O)OC(C)C3O)OC(C)C2O)CC1(C)O.COC(O)C(=O)C(O)C(C)O