Glycoside
GD128780
Name:
Quartromicin A3Formula:
C78H92O30Smiles:
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(CO)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(CO)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: | 14 | FractionCSP3: | 0.54 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 1509.56 | Num_heavy_atoms: | 108 |
| TPSA: | 493.62 | NumAromaticRings: | 0 |
Unique Aglycone
AD52168
Formula: C66H72O20
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(CO)C(C)CC23OC(=O)C(=C3O)C1=O| HBA: | 20 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 6.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 1185.28 | Num_heavy_atoms: | 86 |
| TPSA: | 335.32 | NumAromaticRings: | 0 |
