Glycoside
...
GD019886

Name:
4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl 5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-carboxylate

Formula:
C47H76O20

Smiles:
CC1OC(OC2C(OC(=O)[C@@H]3CC(C)(C)C[C@@H]4C5=CC[C@@H]6[C@]7(C)C[C@H](O)[C@H](OC8OC(CO)C(O)C(O)C8O)[C@](C)(CO)C7[C@H](O)C[C@@]6(C)[C@@]5(C)C[C@H](O)[C@H]43)OCC(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -2.45 Num_rotatable_bonds: 8
MolWt: 961.11 Num_heavy_atoms: 67
TPSA: 335.44 NumAromaticRings: 0

Unique Aglycone
AD13810
Formula: C30H48O7

Smiles:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 2.97 Num_rotatable_bonds: 2
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD00213

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O