Glycoside
...
GD119652

Name:
lobophorin b

Formula:
C62H94O20N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(C)C(OC7CC(O)C(OC)C(C)O7)C(O)C6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4C(C=C2C)C=C(CO)C(C)C4OC3=O)CC1(C)N(O)O

Aglycone:
CC1CC(O)CC(O)C1O.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4C(C=C2C)C=C(CO)C(C)C4OC3=O)CC1(C)N(O)O

Sugarmoiety:
CC1OC(O)CC(O)C1O.COC1C(O)CC(O)OC1C

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 8 FractionCSP3: 0.79
AlogP: 6.1 Num_rotatable_bonds: 12
MolWt: 1187.43 Num_heavy_atoms: 84
TPSA: 303.88 NumAromaticRings: 0

Unique Aglycone
AD47975
Formula: C7H14O3

Smiles:
CC1CC(O)CC(O)C1O
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 1.0
AlogP: -0.5 Num_rotatable_bonds: 0
MolWt: 146.19 Num_heavy_atoms: 10
TPSA: 60.69 NumAromaticRings: 0
AD47976
Formula: C42H60O12N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4C(C=C2C)C=C(CO)C(C)C4OC3=O)CC1(C)N(O)O
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 0.69
AlogP: 5.14 Num_rotatable_bonds: 5
MolWt: 784.94 Num_heavy_atoms: 56
TPSA: 208.04 NumAromaticRings: 0

Sugarmoiety
SD05483

CC1OC(O)CC(O)C1O.COC1C(O)CC(O)OC1C