Glycoside
...
GD126588

Name:
None

Formula:
C41H42O11N2

Smiles:
CC(CC=Cc1ccccc1)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1

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

Sugarmoiety:
O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.29
AlogP: 3.89 Num_rotatable_bonds: 15
MolWt: 738.79 Num_heavy_atoms: 54
TPSA: 211.78 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
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
SD04894

O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)O