Glycoside
GD000255
Name:
NoneFormula:
C35H68O8N9PSmiles:
CCCCCCCCCCCCCCCCOP(=O)(CCN(CCCNC(=N)N)CCCNC(=N)N)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCOP(=O)(CCN(CCCNC(=N)N)CCCNC(=N)N)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 31 |
| MolWt: | 773.96 | Num_heavy_atoms: | 53 |
| TPSA: | 267.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00295
Formula: C27H60O3N7P
Smiles:
CCCCCCCCCCCCCCCCOP(=O)(CCN(CCCNC(=N)N)CCCNC(=N)N)OC| HBA: | 10 | RingCount: | 0 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 28 |
| MolWt: | 561.8 | Num_heavy_atoms: | 38 |
| TPSA: | 162.57 | NumAromaticRings: | 0 |
