Glycoside
...
GD117359

Name:
None

Formula:
C42H49O10N3

Smiles:
C[NH2+]CCC(CC=Cc1ccccc1)C(CNCC1(O)C(Oc2ccc3c(c2)OCC(=C2C=CC(O)=C[CH-]2)C3=O)OC(C(=O)O)C(O)C1O)CC1=CCN=C1

Aglycone:
CNCC(CC1=CCN=C1)C(CC=Cc1ccccc1)CC[NH2+]C.O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21

Sugarmoiety:
O=C(O)C1OC(O)C(O)(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.38
AlogP: 2.33 Num_rotatable_bonds: 16
MolWt: 755.87 Num_heavy_atoms: 55
TPSA: 203.98 NumAromaticRings: 2

Unique Aglycone
AD45187
Formula: C15H11O4

Smiles:
O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O)ccc21
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.07
AlogP: 2.48 Num_rotatable_bonds: 0
MolWt: 255.25 Num_heavy_atoms: 19
TPSA: 66.76 NumAromaticRings: 1
AD46776
Formula: C21H32N3

Smiles:
CNCC(CC1=CCN=C1)C(CC=Cc1ccccc1)CC[NH2+]C
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.48
AlogP: 2.53 Num_rotatable_bonds: 11
MolWt: 326.51 Num_heavy_atoms: 24
TPSA: 41.0 NumAromaticRings: 1

Sugarmoiety
SD04425

O=C(O)C1OC(O)C(O)(O)C(O)C1O