Glycoside
...
GD014483

Name:
None

Formula:
C60H93O19N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@](C)(OC)[C@H]2OC(=O)CCOCCOCCCc2ccc3c(c2)c(=O)c(C(=O)O)cn3CC)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(C)C(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(C)C(=O)OC12C.CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 2 FractionCSP3: 0.77
AlogP: 6.18 Num_rotatable_bonds: 21
MolWt: 1160.41 Num_heavy_atoms: 82
TPSA: 255.82 NumAromaticRings: 2

Unique Aglycone
AD01650
Formula: C20H25O7N

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.16 Num_rotatable_bonds: 12
MolWt: 391.42 Num_heavy_atoms: 28
TPSA: 115.06 NumAromaticRings: 2
AD10642
Formula: C32H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(C)C(=O)OC12C
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.91
AlogP: 2.61 Num_rotatable_bonds: 5
MolWt: 628.8 Num_heavy_atoms: 44
TPSA: 144.3 NumAromaticRings: 0

Sugarmoiety
SD00422

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