Glycoside
GD127821
Name:
Quartromicin A2Formula:
C77H104O30Smiles:
CC1=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)C(O)C(C)=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)C1OAglycone:
CC1=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)C(O)C(C)=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)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 11 |
| HBD: | 17 | FractionCSP3: | 0.68 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 1509.65 | Num_heavy_atoms: | 107 |
| TPSA: | 503.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD51769
Formula: C65H84O20
Smiles:
CC1=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)C(O)C(C)=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)C1O| HBA: | 20 | RingCount: | 9 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 1185.37 | Num_heavy_atoms: | 85 |
| TPSA: | 344.8 | NumAromaticRings: | 0 |
