Glycoside
...
GD013393

Name:
None

Formula:
C62H94O18N2

Smiles:
COC(=O)N[C@@H]1[C@H](C)O[C@H](O[C@@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@H](O[C@@H]5C[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](C)[C@H](OC)[C@H](O)C7)[C@H](C)O6)[C@H](O)[C@H](C)O5)[C@H](C)C[C@H](C)[C@H]4[C@@]3(C)C(=O)C3=C(O)[C@@]4(C[C@H](C)C(CO)=C[C@H]4C=C2C)OC3=O)C[C@]1(C)N

Aglycone:
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(CO)=CC4C=C2C)OC3=O)CC1(C)N.COC1C(C)CC(O)CC1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 8 FractionCSP3: 0.79
AlogP: 5.92 Num_rotatable_bonds: 11
MolWt: 1155.43 Num_heavy_atoms: 82
TPSA: 282.71 NumAromaticRings: 0

Unique Aglycone
AD07783
Formula: C8H16O3

Smiles:
COC1C(C)CC(O)CC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.15 Num_rotatable_bonds: 1
MolWt: 160.21 Num_heavy_atoms: 11
TPSA: 49.69 NumAromaticRings: 0
AD09999
Formula: C42H60O10N2

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(CO)=CC4C=C2C)OC3=O)CC1(C)N
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.69
AlogP: 4.96 Num_rotatable_bonds: 4
MolWt: 752.95 Num_heavy_atoms: 54
TPSA: 186.87 NumAromaticRings: 0

Sugarmoiety
SD01516

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