Glycoside
GD024000
Name:
NoneFormula:
C34H42O5N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCN4CCCCC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.O=C(NCCN1CCCCC1)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 642.76 | Num_heavy_atoms: | 47 |
| TPSA: | 166.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD14496
Formula: C27H30ON7
Smiles:
O=C(NCCN1CCCCC1)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.59 | Num_heavy_atoms: | 35 |
| TPSA: | 96.61 | NumAromaticRings: | 3 |
