Glycoside
...
GD007669

Name:
None

Formula:
C42H80O13N2

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@H](OC2OC(C)CC(N(C)C)C2O)[C@@](C)(O)C[C@H](C)[C@H](NCC(C)(C)CO)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCC(C)(C)CO)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 7 FractionCSP3: 0.98
AlogP: 2.19 Num_rotatable_bonds: 11
MolWt: 821.1 Num_heavy_atoms: 57
TPSA: 209.1 NumAromaticRings: 0

Unique Aglycone
AD06218
Formula: C34H66O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCC(C)(C)CO)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 7 FractionCSP3: 0.97
AlogP: 1.27 Num_rotatable_bonds: 8
MolWt: 662.91 Num_heavy_atoms: 46
TPSA: 181.41 NumAromaticRings: 0

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O