Glycoside
...
GD126967

Name:
None

Formula:
C41H45O11N3

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

Aglycone:
CNCC(CC1=CCN=C1)C(C)CC=Cc1ccccc1.[NH2+]=C(O)C1Oc2cc(O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 9 FractionCSP3: 0.34
AlogP: 1.85 Num_rotatable_bonds: 14
MolWt: 755.82 Num_heavy_atoms: 55
TPSA: 233.19 NumAromaticRings: 2

Unique Aglycone
AD47937
Formula: C16H13O5N

Smiles:
[NH2+]=C(O)C1Oc2cc(O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.06
AlogP: 0.56 Num_rotatable_bonds: 1
MolWt: 299.28 Num_heavy_atoms: 22
TPSA: 112.58 NumAromaticRings: 1
AD48966
Formula: C19H26N2

Smiles:
CNCC(CC1=CCN=C1)C(C)CC=Cc1ccccc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.42
AlogP: 3.96 Num_rotatable_bonds: 8
MolWt: 282.43 Num_heavy_atoms: 21
TPSA: 24.39 NumAromaticRings: 1

Sugarmoiety
SD04425

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