Glycoside

GD117328
Name:
ahdp-mft-2Formula:
C38H60O22N2Smiles:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(Oc5ccc(CC6N=C(O)C(N)C6(C)C)cc5)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1OAglycone:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1NSugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1OOther Identifiers
Properties
HBA: | 24 | RingCount: | 6 |
HBD: | 15 | FractionCSP3: | 0.82 |
AlogP: | -6.77 | Num_rotatable_bonds: | 15 |
MolWt: | 896.89 | Num_heavy_atoms: | 62 |
TPSA: | 384.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD44967
Formula: C13H18O2N2
Smiles:
CC1(C)C(Cc2ccc(O)cc2)N=C(O)C1NHBA: | 4 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.46 |
AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
MolWt: | 234.3 | Num_heavy_atoms: | 17 |
TPSA: | 78.84 | NumAromaticRings: | 1 |