Glycoside
...
GD002947

Name:
None

Formula:
C51H67O13N7

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(N)=O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(N)=O.COC(=O)CCCCCCCCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 10 FractionCSP3: 0.49
AlogP: 2.79 Num_rotatable_bonds: 28
MolWt: 986.13 Num_heavy_atoms: 71
TPSA: 309.66 NumAromaticRings: 4

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
AD02744
Formula: C11H20O5N4

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(N)=O
HBA: 9 RingCount: 0
HBD: 7 FractionCSP3: 0.64
AlogP: -2.89 Num_rotatable_bonds: 8
MolWt: 288.3 Num_heavy_atoms: 20
TPSA: 164.61 NumAromaticRings: 0
AD02745
Formula: C26H32O4N2

Smiles:
COC(=O)CCCCCCCCCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.42
AlogP: 5.1 Num_rotatable_bonds: 12
MolWt: 436.55 Num_heavy_atoms: 32
TPSA: 88.26 NumAromaticRings: 3

Sugarmoiety
SD00020

CC(=O)NC1C(O)OC(O)C(O)C1O