Glycoside
...
GD011058

Name:
None

Formula:
C67H100O21N2

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]6CC[C@H](C)[C@H](O[C@@H]7C[C@H](O)[C@H](O[C@@H]8CC[C@H](O)[C@H](C)O8)[C@H](C)O7)O6)[C@H](OC(C)=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(CC(C=O)=C[C@H](O)[C@H]4C=C2C)OC3)C[C@]1(C)N

Aglycone:
CC1CCC(O)OC1O.CC1OC(O)CCC1O.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=O)=CC(O)C4C=C2C)OC3)CC1(C)N

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

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 7 FractionCSP3: 0.79
AlogP: 6.72 Num_rotatable_bonds: 13
MolWt: 1269.53 Num_heavy_atoms: 90
TPSA: 307.24 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
AD08479
Formula: C6H12O3

Smiles:
CC1CCC(O)OC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: 0.07 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD08480
Formula: C41H58O10N2

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=O)=CC(O)C4C=C2C)OC3)CC1(C)N
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.68
AlogP: 4.36 Num_rotatable_bonds: 4
MolWt: 738.92 Num_heavy_atoms: 53
TPSA: 186.87 NumAromaticRings: 0

Sugarmoiety
SD00072

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