Glycoside
...
GD150699

Name:
Microsporanate E

Formula:
C64H92O20N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)N

Aglycone:
CC1OC(O)CCC1O.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)N

Sugarmoiety:
CC(=O)OC1C(C)OC(O)CC1OC1CCC(O)C(C)O1.OO

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 7 FractionCSP3: 0.73
AlogP: 6.28 Num_rotatable_bonds: 12
MolWt: 1209.43 Num_heavy_atoms: 86
TPSA: 309.34 NumAromaticRings: 0

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD45702
Formula: C44H60O11N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C=CC(C)=O)=CC(O)C4C=C2C)C3=O)CC1(C)N
HBA: 13 RingCount: 6
HBD: 6 FractionCSP3: 0.64
AlogP: 5.04 Num_rotatable_bonds: 5
MolWt: 792.97 Num_heavy_atoms: 57
TPSA: 207.43 NumAromaticRings: 0

Sugarmoiety
SD00925

CC(=O)OC1C(C)OC(O)CC1OC1CCC(O)C(C)O1.OO