Glycoside
...
GD020957

Name:
methyl 3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-{[7,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:
C48H78O21

Smiles:
COC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)[C@H](O)[C@H](O)[C@@]5(CO)[C@H](O)[C@H](O)[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O

Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -2.68 Num_rotatable_bonds: 10
MolWt: 991.13 Num_heavy_atoms: 69
TPSA: 344.67 NumAromaticRings: 0

Unique Aglycone
AD01383
Formula: C30H50O6

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O
HBA: 6 RingCount: 5
HBD: 6 FractionCSP3: 0.93
AlogP: 3.02 Num_rotatable_bonds: 1
MolWt: 506.72 Num_heavy_atoms: 36
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD02020

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C1O