Glycoside
...
GD136078

Name:
methyl 3,4-dihydroxy-2-{[2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydro-2H-pyran-6-carboxylate

Formula:
C43H66O15

Smiles:
COC(=O)C1=CC(O)C(O)C(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)CO)O1

Aglycone:
COC(=O)C1=CC(O)C(O)C(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)O1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.86
AlogP: 1.59 Num_rotatable_bonds: 7
MolWt: 822.99 Num_heavy_atoms: 58
TPSA: 242.13 NumAromaticRings: 0

Unique Aglycone
AD55007
Formula: C37H56O10

Smiles:
COC(=O)C1=CC(O)C(O)C(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)CO)O1
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.84
AlogP: 4.34 Num_rotatable_bonds: 5
MolWt: 660.85 Num_heavy_atoms: 47
TPSA: 162.98 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O