Glycoside
GD134302
Name:
gahdp-mmft-1Formula:
C35H55O18N3Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(Oc4ccc(CC5N=C(O)C(N=C(O)CN)C5(C)C)cc4)C(O)C3O)C(OC)C2O)C(O)C1OAglycone:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CNSugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(OC)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.77 |
| AlogP: | -3.99 | Num_rotatable_bonds: | 15 |
| MolWt: | 805.83 | Num_heavy_atoms: | 56 |
| TPSA: | 326.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD45135
Formula: C15H21O3N3
Smiles:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1N=C(O)CN| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.35 | Num_heavy_atoms: | 21 |
| TPSA: | 111.43 | NumAromaticRings: | 1 |
