Glycoside
GD128973
Name:
NoneFormula:
C43H51O12N5Smiles:
CNCCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(OC4(O)OC(CO)C(O)C(O)C4O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1OAglycone:
CNCCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1OSugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 829.9 | Num_heavy_atoms: | 60 |
| TPSA: | 280.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD52242
Formula: C37H41O6N5
Smiles:
CNCCC1=NCN=C1Cc1cc(C=CC(=O)N2c3cc(O)c(O)cc3C(CC3(c4ccccc4)CCCC3N)C2C(=O)O)ccc1O| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 651.76 | Num_heavy_atoms: | 48 |
| TPSA: | 181.07 | NumAromaticRings: | 3 |
