Glycoside
GD119421
Name:
Quartromicin A2Formula:
C78H90O30Smiles:
CC1=CC=CC2(C)C=C(COC3OC(CO)C(O)C(O)C3O)C(C)CC23OC(=O)C(=C3O)C(=O)C=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C(C)=CC=CC2(C)C=C(COC3OC(CO)C(O)C(O)C3O)C(C)CC23OC(=O)C(=C3O)C(=O)C=CC2(C)C=C(C=O)C(C)CC23OC(=O)C(=C3O)C1=OAglycone:
CC1=CC=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C(C)=CC=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C=CC2(C)C=C(C=O)C(C)CC23OC(=O)C(=C3O)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 13 | FractionCSP3: | 0.53 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 1507.55 | Num_heavy_atoms: | 108 |
| TPSA: | 490.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD47842
Formula: C66H70O20
Smiles:
CC1=CC=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C(C)=CC=CC2(C)C=C(CO)C(C)CC23OC(=O)C(=C3O)C(=O)C=CC2(C)C=C(C=O)C(C)CC23OC(=O)C(=C3O)C1=O| HBA: | 20 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 6.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 1183.27 | Num_heavy_atoms: | 86 |
| TPSA: | 332.16 | NumAromaticRings: | 0 |
