Glycoside
...
GD124495

Name:
None

Formula:
C40H44O10N2

Smiles:
CC(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=CC[NH+]=C1

Aglycone:
CNCC(CC1=CC[NH+]=C1)C(C)CC=Cc1ccccc1.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: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.35
AlogP: 1.84 Num_rotatable_bonds: 13
MolWt: 712.8 Num_heavy_atoms: 52
TPSA: 188.98 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
AD50294
Formula: C19H27N2

Smiles:
CNCC(CC1=CC[NH+]=C1)C(C)CC=Cc1ccccc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 2.04 Num_rotatable_bonds: 8
MolWt: 283.44 Num_heavy_atoms: 21
TPSA: 26.0 NumAromaticRings: 1

Sugarmoiety
SD04425

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