Glycoside
...
GD036805

Name:
None

Formula:
C45H71O13N

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@]2(COC(C)=O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)NCC)[C@H](O)[C@H](O)[C@H]6O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2CC1(C)C

Aglycone:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C.CCNC=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 7 FractionCSP3: 0.84
AlogP: 3.08 Num_rotatable_bonds: 9
MolWt: 834.06 Num_heavy_atoms: 59
TPSA: 221.54 NumAromaticRings: 0

Unique Aglycone
AD00170
Formula: C3H7ON

Smiles:
CCNC=O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.25 Num_rotatable_bonds: 2
MolWt: 73.09 Num_heavy_atoms: 5
TPSA: 29.1 NumAromaticRings: 0
AD06347
Formula: C37H58O8

Smiles:
CC=C(C)C(=O)OC1C(O)C2(COC(C)=O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.84
AlogP: 5.11 Num_rotatable_bonds: 5
MolWt: 630.86 Num_heavy_atoms: 45
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O