Glycoside
GD122154
Name:
Quartromicin A1Formula:
C77H102O30Smiles:
CC1=CC=CC2(C)C=C(COC3OC(CO)C(O)C(O)C3O)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C(O)C(C)=CC=CC2C=C(COC3OC(CO)C(O)C(O)C3O)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C1OAglycone:
CC1=CC=CC2(C)C=C(CO)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C(O)C(C)=CC=CC2C=C(CO)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 16 | FractionCSP3: | 0.66 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 1507.63 | Num_heavy_atoms: | 107 |
| TPSA: | 499.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD49205
Formula: C65H82O20
Smiles:
CC1=CC=CC2(C)C=C(CO)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C(O)C(C)=CC=CC2C=C(CO)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(C=O)C(C)CC23OC(O)C(C3=O)C1O| HBA: | 20 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.6 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 1183.35 | Num_heavy_atoms: | 85 |
| TPSA: | 341.64 | NumAromaticRings: | 0 |
