Glycoside
GD133086
Name:
tetrocarcin e2Formula:
C49H68O17N2Smiles:
COC(O)=NC1C(C)OC(OC2C=CC(C)C3C=CC4C(OC5CC(OC(C)=O)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])OAglycone:
COC(O)=NC1C(C)OC(OC2C=CC(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])OSugarmoiety:
CC(=O)OC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 957.08 | Num_heavy_atoms: | 68 |
| TPSA: | 273.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD53876
Formula: C41H56O13N2
Smiles:
COC(O)=NC1C(C)OC(OC2C=CC(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=O)=CC(O)C4C=C2C)C3=O)CC1(C)[NH+]([O-])O| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 784.9 | Num_heavy_atoms: | 56 |
| TPSA: | 229.14 | NumAromaticRings: | 0 |
