Glycoside
GD007404
Name:
PORPHYRINFormula:
C46H56O12N6Smiles:
C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)NC1C(O)OC(CO)C(O)C1O)c(CCC(=O)NC1C(O)OC(CO)C(O)C1O)c4C)C(C=C)=C3CAglycone:
C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(N)=O)c(CCC(N)=O)c4C)C(C=C)=C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.43 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 12 |
| MolWt: | 884.98 | Num_heavy_atoms: | 64 |
| TPSA: | 295.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD06034
Formula: C34H36O2N6
Smiles:
C=CC1=C(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(N)=O)c(CCC(N)=O)c4C)C(C=C)=C3C| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 6.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.7 | Num_heavy_atoms: | 42 |
| TPSA: | 143.54 | NumAromaticRings: | 3 |
