Glycoside
...
GD131561

Name:
None

Formula:
C41H43O11N3

Smiles:
CC(CC=Cc1ccccc1)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1O)Cc1cc[nH]c1

Aglycone:
CNCC(Cc1cc[nH]c1)C(C)CC=Cc1ccccc1.NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 9 FractionCSP3: 0.29
AlogP: 3.42 Num_rotatable_bonds: 15
MolWt: 753.81 Num_heavy_atoms: 55
TPSA: 237.8 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
AD51160
Formula: C19H26N2

Smiles:
CNCC(Cc1cc[nH]c1)C(C)CC=Cc1ccccc1
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.37
AlogP: 4.13 Num_rotatable_bonds: 8
MolWt: 282.43 Num_heavy_atoms: 21
TPSA: 27.82 NumAromaticRings: 2

Sugarmoiety
SD04425

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