Glycoside
...
GD000308

Name:
None

Formula:
C36H41O10N5

Smiles:
CC[C@@]12C=CCN3CC[C@@]4(C(=C(C(=O)OC)[C@H]1Nc1ccn(C5OC(COC(C)=O)C(OC(C)=O)C5OC(C)=O)c(=O)n1)Nc1ccccc14)C32

Aglycone:
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1cc[nH]c(=O)n1)Nc1ccccc14)C32.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 2 FractionCSP3: 0.5
AlogP: 2.19 Num_rotatable_bonds: 9
MolWt: 703.75 Num_heavy_atoms: 51
TPSA: 176.62 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00354
Formula: C25H27O3N5

Smiles:
CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1cc[nH]c(=O)n1)Nc1ccccc14)C32
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.4
AlogP: 2.4 Num_rotatable_bonds: 4
MolWt: 445.52 Num_heavy_atoms: 33
TPSA: 99.35 NumAromaticRings: 2

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O