Glycoside
...
GD035859

Name:
None

Formula:
C64H77O24N7

Smiles:
CC(=O)OC[C@@H]1O[C@@H](NC(=O)CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(N)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COC(C)=O.NC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O

Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 31 RingCount: 7
HBD: 8 FractionCSP3: 0.48
AlogP: 0.35 Num_rotatable_bonds: 28
MolWt: 1328.34 Num_heavy_atoms: 95
TPSA: 427.61 NumAromaticRings: 4

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
AD01963
Formula: C38H43O7N7

Smiles:
NC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O
HBA: 14 RingCount: 5
HBD: 9 FractionCSP3: 0.32
AlogP: 1.1 Num_rotatable_bonds: 16
MolWt: 709.8 Num_heavy_atoms: 52
TPSA: 229.81 NumAromaticRings: 4

Sugarmoiety
SD00077

CC(=O)OCC1OC(OC2C(O)OC(O)OC2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O