Glycoside
...
GD005874

Name:
None

Formula:
C35H41O8N3

Smiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(CN4CCNCC4c4ccccc4)cc(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(CN3CCNCC3c3ccccc3)cc(=O)oc12.Cc1ccc(C(=O)O)[nH]1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 3 FractionCSP3: 0.43
AlogP: 4.0 Num_rotatable_bonds: 8
MolWt: 631.73 Num_heavy_atoms: 46
TPSA: 135.49 NumAromaticRings: 4

Unique Aglycone
AD00152
Formula: C6H7O2N

Smiles:
Cc1ccc(C(=O)O)[nH]1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.17
AlogP: 1.02 Num_rotatable_bonds: 1
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 53.09 NumAromaticRings: 1
AD04922
Formula: C21H22O3N2

Smiles:
Cc1c(O)ccc2c(CN3CCNCC3c3ccccc3)cc(=O)oc12
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.29
AlogP: 2.95 Num_rotatable_bonds: 3
MolWt: 350.42 Num_heavy_atoms: 26
TPSA: 65.71 NumAromaticRings: 3

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C