Glycoside
GD130571
Name:
Quartromicin A1Formula:
C78H88O30Smiles:
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(C=O)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(C=O)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: | 12 | FractionCSP3: | 0.51 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 1505.53 | Num_heavy_atoms: | 108 |
| TPSA: | 487.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD52916
Formula: C66H68O20
Smiles:
CC1=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)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: | 6 | FractionCSP3: | 0.42 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 1181.25 | Num_heavy_atoms: | 86 |
| TPSA: | 329.0 | NumAromaticRings: | 0 |
