Glycoside
GD124046
Name:
Quartromicin A3Formula:
C77H106O30Smiles:
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(CO)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(CO)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(CO)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(CO)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: | 18 | FractionCSP3: | 0.69 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 1511.67 | Num_heavy_atoms: | 107 |
| TPSA: | 506.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD50084
Formula: C65H86O20
Smiles:
CC1=CC=CC2(C)C=C(CO)C(C)CC23OC(O)C(C3=O)C(O)C=CC2(C)C=C(CO)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(CO)C(C)CC23OC(O)C(C3=O)C1O| HBA: | 20 | RingCount: | 9 |
| HBD: | 12 | FractionCSP3: | 0.63 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 1187.38 | Num_heavy_atoms: | 85 |
| TPSA: | 347.96 | NumAromaticRings: | 0 |
