Glycoside
...
GD138009

Name:
None

Formula:
C61H90O20N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(C)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C=O)=CC4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Aglycone:
CC1OC(O)CC(O)C1C.COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C=O)=CC4C=C2C)OC3=O)CC1(C)[NH+]([O-])O

Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 7 FractionCSP3: 0.77
AlogP: 5.1 Num_rotatable_bonds: 11
MolWt: 1171.38 Num_heavy_atoms: 83
TPSA: 304.75 NumAromaticRings: 0

Unique Aglycone
AD55729
Formula: C7H14O3

Smiles:
CC1OC(O)CC(O)C1C
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.11 Num_rotatable_bonds: 0
MolWt: 146.19 Num_heavy_atoms: 10
TPSA: 49.69 NumAromaticRings: 0
AD55730
Formula: C42H58O12N2

Smiles:
COC(O)=NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C=O)=CC4C=C2C)OC3=O)CC1(C)[NH+]([O-])O
HBA: 14 RingCount: 6
HBD: 5 FractionCSP3: 0.67
AlogP: 4.18 Num_rotatable_bonds: 5
MolWt: 782.93 Num_heavy_atoms: 56
TPSA: 208.91 NumAromaticRings: 0

Sugarmoiety
SD01516

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O