Glycoside
...
GD124571

Name:
None

Formula:
C42H47O10N3

Smiles:
CNCCC(CC=Cc1ccccc1)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1O)Cc1cc[nH]c1

Aglycone:
CNCCC(CC=Cc1ccccc1)C(CNC)Cc1cc[nH]c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.33
AlogP: 3.91 Num_rotatable_bonds: 17
MolWt: 753.85 Num_heavy_atoms: 55
TPSA: 206.74 NumAromaticRings: 5

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD50335
Formula: C21H31N3

Smiles:
CNCCC(CC=Cc1ccccc1)C(CNC)Cc1cc[nH]c1
HBA: 3 RingCount: 2
HBD: 3 FractionCSP3: 0.43
AlogP: 3.72 Num_rotatable_bonds: 11
MolWt: 325.5 Num_heavy_atoms: 24
TPSA: 39.85 NumAromaticRings: 2

Sugarmoiety
SD04425

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