Glycoside
...
GD019511

Name:
(6-{[7-(acetyloxy)-1-(4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl)-3b,6,6,9a,11a-pentamethyl-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:
C41H68O12

Smiles:
COC(C)(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1CC=C2[C@@]1(C)CCC1[C@]2(C)[C@@H](OC2OC(COC(C)=O)C(O)C(O)C2O)CC2C(C)(C)[C@@H](OC(C)=O)CC[C@]21C

Aglycone:
COC(C)(C)C(O)C(O)CC(C)C1CC=C2C1(C)CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CC(O)C21C.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.06 Num_rotatable_bonds: 11
MolWt: 752.98 Num_heavy_atoms: 53
TPSA: 181.44 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD13617
Formula: C33H56O6

Smiles:
COC(C)(C)C(O)C(O)CC(C)C1CC=C2C1(C)CCC1C3(C)CCC(OC(C)=O)C(C)(C)C3CC(O)C21C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.91
AlogP: 5.67 Num_rotatable_bonds: 7
MolWt: 548.81 Num_heavy_atoms: 39
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00017

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