Glycoside
...
GD149447

Name:
None

Formula:
C44H47O12N3

Smiles:
CCc1ccccc1C=CCC(C)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1

Aglycone:
CCc1ccccc1C=CCC(C)C(CNC)Cc1cc[nH]c1.NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1

Sugarmoiety:
O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)O

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 9 FractionCSP3: 0.32
AlogP: 3.55 Num_rotatable_bonds: 17
MolWt: 809.87 Num_heavy_atoms: 59
TPSA: 254.87 NumAromaticRings: 5

Unique Aglycone
AD46349
Formula: C16H11O5N

Smiles:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.0
AlogP: 1.97 Num_rotatable_bonds: 2
MolWt: 297.27 Num_heavy_atoms: 22
TPSA: 113.76 NumAromaticRings: 3
AD50413
Formula: C21H30N2

Smiles:
CCc1ccccc1C=CCC(C)C(CNC)Cc1cc[nH]c1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.43
AlogP: 4.69 Num_rotatable_bonds: 9
MolWt: 310.48 Num_heavy_atoms: 23
TPSA: 27.82 NumAromaticRings: 2

Sugarmoiety
SD04894

O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)O