Glycoside
...
GD013213

Name:
None

Formula:
C46H55O15N5

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](N)Cc3ccc(O)cc3)C(=O)N[C@H](Cc3ccccc3)C(N)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 7 FractionCSP3: 0.43
AlogP: 0.66 Num_rotatable_bonds: 19
MolWt: 917.97 Num_heavy_atoms: 66
TPSA: 291.51 NumAromaticRings: 3

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
AD09887
Formula: C32H37O6N5

Smiles:
NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1
HBA: 11 RingCount: 4
HBD: 8 FractionCSP3: 0.31
AlogP: 0.9 Num_rotatable_bonds: 12
MolWt: 587.68 Num_heavy_atoms: 43
TPSA: 188.08 NumAromaticRings: 3

Sugarmoiety
SD00012

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