Glycoside
GD014275
Name:
NoneFormula:
C33H26O11N4Smiles:
O=C(O)c1ccc(NN2C(=O)c3c(c4c5cccc(O)c5n(C5OC(CO)C(O)C(O)C5O)c4c4[nH]c5c(O)cccc5c34)C2=O)cc1Aglycone:
O=C(O)c1ccc(NN2C(=O)c3c(c4c5cccc(O)c5[nH]c4c4[nH]c5c(O)cccc5c34)C2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.18 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.59 | Num_heavy_atoms: | 48 |
| TPSA: | 238.04 | NumAromaticRings: | 6 |
Unique Aglycone
AD10521
Formula: C27H16O6N4
Smiles:
O=C(O)c1ccc(NN2C(=O)c3c(c4c5cccc(O)c5[nH]c4c4[nH]c5c(O)cccc5c34)C2=O)cc1| HBA: | 10 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 492.45 | Num_heavy_atoms: | 37 |
| TPSA: | 158.75 | NumAromaticRings: | 6 |
