Glycoside
...
GD034754

Name:
None

Formula:
C65H72O10N6

Smiles:
O=C1C=C(OCCCCCCn2cc(COC[C@@H]3O[C@H](OCc4cn(CCCCCCOC5=CC(=O)Cc6ccccc65)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)c2ccccc2C1

Aglycone:
COCc1cn(CCCCCCOC2=CC(=O)Cc3ccccc32)nn1.O=C1C=C(OCCCCCCn2cc(CO)nn2)c2ccccc2C1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 10
HBD: 0 FractionCSP3: 0.38
AlogP: 10.57 Num_rotatable_bonds: 32
MolWt: 1097.32 Num_heavy_atoms: 81
TPSA: 169.4 NumAromaticRings: 7

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD22058
Formula: C20H25O3N3

Smiles:
COCc1cn(CCCCCCOC2=CC(=O)Cc3ccccc32)nn1
HBA: 6 RingCount: 3
HBD: 0 FractionCSP3: 0.45
AlogP: 3.17 Num_rotatable_bonds: 10
MolWt: 355.44 Num_heavy_atoms: 26
TPSA: 66.24 NumAromaticRings: 2
AD22059
Formula: C19H23O3N3

Smiles:
O=C1C=C(OCCCCCCn2cc(CO)nn2)c2ccccc2C1
HBA: 6 RingCount: 3
HBD: 1 FractionCSP3: 0.42
AlogP: 2.51 Num_rotatable_bonds: 9
MolWt: 341.41 Num_heavy_atoms: 25
TPSA: 77.24 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O