Glycoside
...
GD012134

Name:
None

Formula:
C52H81O14N

Smiles:
CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@@H]4C[C@H](C[C@]5(C=C[C@H](C)[C@H](C(C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@H]3C)[C@@]54O)C[C@H]2OC)C[C@H]1OC

Aglycone:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2.CCCNC

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)C(C)O1

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 4 FractionCSP3: 0.79
AlogP: 5.75 Num_rotatable_bonds: 12
MolWt: 944.21 Num_heavy_atoms: 67
TPSA: 182.09 NumAromaticRings: 0

Unique Aglycone
AD00521
Formula: C34H48O8

Smiles:
CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.68
AlogP: 4.31 Num_rotatable_bonds: 2
MolWt: 584.75 Num_heavy_atoms: 42
TPSA: 114.68 NumAromaticRings: 0
AD02160
Formula: C4H11N

Smiles:
CCCNC
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.62 Num_rotatable_bonds: 2
MolWt: 73.14 Num_heavy_atoms: 5
TPSA: 12.03 NumAromaticRings: 0

Sugarmoiety
SD00395

COC1CC(O)OC(C)C1OC1CC(OC)C(O)(O)C(C)O1