Glycoside
...
GD116997

Name:
At2433-B2

Formula:
C33H34O9N4

Smiles:
COC1C(COC2CC(O)C(N)CO2)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)C(O)C1O

Aglycone:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O.COC1CC(O)C(N)CO1

Sugarmoiety:
COC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 6 FractionCSP3: 0.39
AlogP: 1.74 Num_rotatable_bonds: 5
MolWt: 630.65 Num_heavy_atoms: 46
TPSA: 181.73 NumAromaticRings: 5

Unique Aglycone
AD06878
Formula: C21H13O2N3

Smiles:
CN1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.05
AlogP: 4.18 Num_rotatable_bonds: 0
MolWt: 339.35 Num_heavy_atoms: 26
TPSA: 68.96 NumAromaticRings: 5
AD46574
Formula: C6H13O3N

Smiles:
COC1CC(O)C(N)CO1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.93 Num_rotatable_bonds: 1
MolWt: 147.17 Num_heavy_atoms: 10
TPSA: 64.71 NumAromaticRings: 0

Sugarmoiety
SD00685

COC1C(O)OC(O)C(O)C1O